Geometry & MOs

Info

ID:	414036
PubChem CID:	135086989
Reduced:	NS2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	67.89
Dipole, Da:	6.32
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-1,1-diphenylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1CSC(=CC2=CC=C(C=C2)C#N)SC1

DOS

IR

Vibrations