Geometry & MOs

Info

ID:	205404
PubChem CID:	80095733
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	321.029349
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	3.4
IP(EA), eV:	-9.12(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-fluorophenyl)sulfanylethylsulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(C(=O)N1)C2CC2)CC3=CC(=CC=C3)O)C

DOS

IR

Vibrations