Geometry & MOs

Info

ID:	213924
PubChem CID:	81065555
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	364.99326
ΔH_f, kcal/mol:	-136.2
Dipole, Da:	2.98
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations