Geometry & MOs

Info

ID:	89612
PubChem CID:	49963069
Reduced:	SO4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	4.67
IP(EA), eV:	-8.17(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylthiophen-2-yl)-naphthalen-1-ylmethanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C(C2=CC=C(C=C2)SC)O)OC

DOS

IR

Vibrations