Geometry & MOs

Info

ID:	258781
PubChem CID:	103156971
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	286.072035
ΔH_f, kcal/mol:	-162.95
Dipole, Da:	7.77
IP(EA), eV:	-9.52(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-amino-4-chlorobenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2CCS(=O)(=O)C2)O

DOS

IR

Vibrations