Geometry & MOs

Info

ID:	12112
PubChem CID:	130448
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	225.057198
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	4.19
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-aminoanilino)-sulfanylmethylidene]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=NCC(=O)O)S

DOS

IR

Vibrations