Geometry & MOs

Info

ID:	420380
PubChem CID:	135112852
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	726.31439
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	3.11
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-5-chloro-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCC(C(=O)O)NC1=NC=CC(=C1)C(=O)N2CCCC2

DOS

IR

Vibrations