Geometry & MOs

Info

ID:	7235
PubChem CID:	71665
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(N-prop-2-enyl-C-sulfanylcarbonimidoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C=CCN=C(NC1=CC=CC(=C1)C(=O)O)S

DOS

IR

Vibrations