Geometry & MOs

Info

ID:	379227
PubChem CID:	134356850
Reduced:	F6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	356.011177
ΔH_f, kcal/mol:	-297.14
Dipole, Da:	3.24
IP(EA), eV:	-9.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxysulfanylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2C=CC(=CC2(C)C(F)(F)F)C)C(F)(F)F

DOS

IR

Vibrations