Geometry & MOs

Info

ID:	54773
PubChem CID:	17389244
Reduced:	INSO3C19H28 (1)
Stoich.:	ABCD3E19F28 (1)
Weight, g/mol:	386.18167
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	16.9
IP(EA), eV:	-7.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexylsulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC[N+](C)(CC)CCSCCOC(=O)C1=C(C2=CC=CC=C2O1)C.[I-]

DOS

IR

Vibrations