Geometry & MOs

Info

ID:

215235

PubChem CID:

85084408

Reduced:

N2O9C45H58 (1)

Stoich.:

A2B9C45D58 (1)

Weight, g/mol:

770.457828

ΔHf, kcal/mol:

-324.12

Dipole, Da:

12.72

IP(EA), eV:

 -8.9(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-benzyl-21-hydroxy-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]butanamide

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C(C4C3=O)N7CCOCC7)C(=O)C5(OC6(C)C)CC=CC(=O)N8CCOCC8)O)C)C

DOS

IR

Vibrations