Geometry & MOs

Info

ID:	302011
PubChem CID:	123109909
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	-189.16
Dipole, Da:	1.53
IP(EA), eV:	-8.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CS(=O)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations