Geometry & MOs

Info

ID:	85019
PubChem CID:	49871326
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	682.444469
ΔH_f, kcal/mol:	-20.91
Dipole, Da:	6.1
IP(EA), eV:	-8.86(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4R,8S,11S,15R,18S,21S,22S,23E,27R,28S)-4,27-dihydroxy-6,11,15,24,28-pentamethyl-2-methylidene-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,23-diene-21-carboxylate

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

CCC(=O)[C@@H](C)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl

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

CCC(=O)[C@@H](C)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):