Geometry & MOs

Info

ID:	213187
PubChem CID:	81063135
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	4.75
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations