Geometry & MOs

Info

ID:	291971
PubChem CID:	113996463
Reduced:	ClNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	17.29
Dipole, Da:	3.62
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-2-(3-methylbutan-2-ylsulfonyl)ethanone

Drug info:

PubChemData

Smile

CC(C)CCSCC1=CC2=CC=CC=C2N=C1Cl

DOS

IR

Vibrations