Geometry & MOs

Info

ID:	46155
PubChem CID:	10522575
Reduced:	SN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	362.0785
ΔH_f, kcal/mol:	79.3
Dipole, Da:	6.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754530
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[(2R,3S)-2-phenyloxolan-3-yl]selanylphenyl]propan-1-ol

Drug info:

PubChemData

Smile

C[N+]1=C(N(C=C1)CC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations