Geometry & MOs

Info

ID:	204991
PubChem CID:	80040423
Reduced:	SC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	262.066149
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	3.74
IP(EA), eV:	-8.58(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-difluorophenyl)sulfanylmethyl]-3-methylbutane-1-thiol

Drug info:

PubChemData

Smile

CC1CCCC(C1)SCC(C)(C)CS

DOS

IR

Vibrations