Geometry & MOs

Info

ID:	213189
PubChem CID:	81063137
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	3.45
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations