Geometry & MOs

Info

ID:	179380
PubChem CID:	76474145
Reduced:	IO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	566.241687
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	4.86
IP(EA), eV:	-9.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-1-naphthalen-2-yl-4-oxobutan-2-yl)oxycarbonyl-2-[(3-benzylbenzoyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2CC(=O)I)CCC4=CC(=O)CCC34C

DOS

IR

Vibrations