Geometry & MOs

Info

ID:	412173
PubChem CID:	135085047
Reduced:	SC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	77.09
Dipole, Da:	1.97
IP(EA), eV:	-8.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-phenyloxan-3-ol

Drug info:

PubChemData

Smile

C1CCC(=CC1)SC#CC2=CC=CC=C2

DOS

IR

Vibrations