Geometry & MOs

Info

ID:	213196
PubChem CID:	81063146
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	5.12
IP(EA), eV:	-9.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C(C)NC(=O)C1=CC=CS1

DOS

IR

Vibrations