Geometry & MOs

Info

ID:	19124
PubChem CID:	555114
Reduced:	SN2O4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	10.31
IP(EA), eV:	-10.2(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzenesulfonyl(2-cyanoethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CC(=O)O

DOS

IR

Vibrations