Geometry & MOs

Info

ID:	404548
PubChem CID:	135066708
Reduced:	ClNO2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	277.092521
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	5.99
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4,5-diphenylpyridine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC(=O)C[C@H]([C@]12C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations