Geometry & MOs

Info

ID:	301980
PubChem CID:	123106616
Reduced:	SO4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	381.043771
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	4.67
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCS(=O)CC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations