Geometry & MOs

Info

ID:	302010
PubChem CID:	123109902
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-125.73
Dipole, Da:	2.52
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CS(=O)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations