Geometry & MOs

Info

ID:	301870
PubChem CID:	123098849
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-157.96
Dipole, Da:	4.74
IP(EA), eV:	-8.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CS(=O)CC(=O)OCCOC2=CC=CC=C2

DOS

IR

Vibrations