Geometry & MOs

Info

ID:	401597
PubChem CID:	135051791
Reduced:	NSO2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	320.10823
ΔH_f, kcal/mol:	-13.07
Dipole, Da:	5.11
IP(EA), eV:	-8.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-methoxyphenyl)sulfanyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)N)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations