Geometry & MOs

Info

ID:	261139
PubChem CID:	103219426
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	418.95337
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	5.62
IP(EA), eV:	-8.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-iodobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=O)N(N=C1)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations