Geometry & MOs

Info

ID:	413516
PubChem CID:	135086465
Reduced:	SH20C21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	316.092186
ΔH_f, kcal/mol:	121.16
Dipole, Da:	1.89
IP(EA), eV:	-8.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diphenyl-3-phenylsulfanylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

CCCCCC#CSC1=CC=CC=C1C2=CC=CC=C2C#C

DOS

IR

Vibrations