Geometry & MOs

Info

ID:	14694
PubChem CID:	417997
Reduced:	SC21H45 (1)
Stoich.:	AB21C45 (1)
Weight, g/mol:	330.332023
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753949
Charge, e:	0

Chem-info

IUPAC name:

ethyl-methyl-octadecyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCS(C)CC

DOS

IR

Vibrations