Geometry & MOs

Info

ID:	441495
PubChem CID:	135235413
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	542.030635
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	2.83
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-3-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CCC1C(CC(O1)C2=CNN3C2=NC(=NC3=O)N)O

DOS

IR

Vibrations