Geometry & MOs

Info

ID:	22635
PubChem CID:	598058
Reduced:	NSO2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	169.01975
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	7.26
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)S)N

DOS

IR

Vibrations