Geometry & MOs

Info

ID:	439407
PubChem CID:	135229181
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	483.191581
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	7.47
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4,4-dimethylcyclohexyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CCSC1=C(N=C(N1C)C2CC2)C(=O)O

DOS

IR

Vibrations