Geometry & MOs

Info

ID:	199557
PubChem CID:	79266692
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-174.9
Dipole, Da:	2.89
IP(EA), eV:	-9.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(3-carbamoylbenzoyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)C1=CC(=C(C=C1)O)Cl

DOS

IR

Vibrations