Geometry & MOs

Info

ID:	296969
PubChem CID:	117603266
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	568.01248
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	2.25
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-[carboxymethyl-[hydroxy-(4-iodophenyl)carbamoyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations