Geometry & MOs

Info

ID:	14678
PubChem CID:	417373
Reduced:	OSC22H29 (1)
Stoich.:	ABC22D29 (1)
Weight, g/mol:	342.201737
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754380
Charge, e:	0

Chem-info

IUPAC name:

2-(dibutyl-lambda4-sulfanyl)-1-(4-phenylphenyl)ethanone

Drug info:

PubChemData

Smile

CCCCS(CCCC)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations