Geometry & MOs

Info

ID:	301972
PubChem CID:	123106107
Reduced:	ClNSO2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	351.033207
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	2.4
IP(EA), eV:	-8.55(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(3-chlorophenyl)methylsulfinyl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)CS(=O)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations