Geometry & MOs

Info

ID:	144907
PubChem CID:	53429969
Reduced:	ClNO5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	269.97658
ΔH_f, kcal/mol:	-117.93
Dipole, Da:	5.29
IP(EA), eV:	-9.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2-bromobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C(=O)[O-])NC(=O)CCl)C)C(=O)[O-]

DOS

IR

Vibrations