Geometry & MOs

Info

ID:	28340
PubChem CID:	827111
Reduced:	ClSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	306.011743
ΔH_f, kcal/mol:	79.89
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylphenyl)sulfanyl-5-chlorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)Cl)NN

DOS

IR

Vibrations