Geometry & MOs

Info

ID:	413582
PubChem CID:	135086531
Reduced:	SH18C28 (1)
Stoich.:	AB18C28 (1)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	206.75
Dipole, Da:	1.38
IP(EA), eV:	-8.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-phenylsulfanylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=CC=C2C3=CC=CC=C3SC#CC4=CC=CC=C4

DOS

IR

Vibrations