Geometry & MOs

Info

ID:	214469
PubChem CID:	85083092
Reduced:	N4O7C28H34 (1)
Stoich.:	A4B7C28D34 (1)
Weight, g/mol:	538.286346
ΔH_f, kcal/mol:	-266.16
Dipole, Da:	5.5
IP(EA), eV:	-9.44(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[16-[3-(diaminomethylideneamino)propyl]-2,9,12,15,18-pentaoxo-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-10-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)NC(=O)C)C=O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations