Geometry & MOs

Info

ID:	441497
PubChem CID:	135235415
Reduced:	SO2F3N5C17H20 (1)
Stoich.:	AB2C3D5E17F20 (1)
Weight, g/mol:	514.13988
ΔH_f, kcal/mol:	-175.74
Dipole, Da:	10.31
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C(C)C)C2=NC3=CC(=NC=C3N2C)C(F)(F)F

DOS

IR

Vibrations