Geometry & MOs

Info

ID:	448435
PubChem CID:	135290892
Reduced:	N2S2O7C26H28 (1)
Stoich.:	A2B2C7D26E28 (1)
Weight, g/mol:	715.408418
ΔH_f, kcal/mol:	-187.14
Dipole, Da:	9.41
IP(EA), eV:	-8.56(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4R,9S,12R,15S)-1,9,12-trihydroxy-4,10,14,17,17-pentamethyl-11-oxo-2-phenyl-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl] (2R,3S)-3-acetamido-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):