Geometry & MOs

Info

ID:	213823
PubChem CID:	81065147
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	347.00184
ΔH_f, kcal/mol:	-131.65
Dipole, Da:	3.16
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-iodobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)/C=C/C1=CC(=C(C=C1)C)Cl

DOS

IR

Vibrations