Geometry & MOs

Info

ID:	302013
PubChem CID:	123109974
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	373.098394
ΔH_f, kcal/mol:	-134.84
Dipole, Da:	2.43
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(3-acetylanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations