Geometry & MOs

Info

ID:	15227
PubChem CID:	433975
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	14.02
Dipole, Da:	4.44
IP(EA), eV:	-7.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenyl-3-sulfanyl-2H-pyridin-1-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CN1C=CC=C(C1C2=CC=CC=C2)S

DOS

IR

Vibrations