Geometry & MOs

Info

ID:

415652

PubChem CID:

135088651

Reduced:

N2O5C16H20 (1)

Stoich.:

A2B5C16D20 (1)

Weight, g/mol:

665.353697

ΔHf, kcal/mol:

-144.89

Dipole, Da:

1.76

IP(EA), eV:

 -9.2(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetyl-N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=NOC(=C1C(=O)O)C2=CC=C(C=C2)OC)CO

DOS

IR

Vibrations