Geometry & MOs

Info

ID:	418616
PubChem CID:	135106243
Reduced:	N2O3C24H36 (1)
Stoich.:	A2B3C24D36 (1)
Weight, g/mol:	670.286346
ΔH_f, kcal/mol:	-166.51
Dipole, Da:	7.08
IP(EA), eV:	-9.03(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R,17S,20R)-20-benzyl-17-[(1R)-1-hydroxyethyl]-14-[(4-hydroxyphenyl)methyl]-5-oxa-1,10,13,16,19,22,25,26-octazatricyclo[22.2.1.06,11]heptacosa-6(11),7,9,24(27),25-pentaene-12,15,18,21-tetrone

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

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

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

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):