Geometry & MOs

Info

ID:	83863
PubChem CID:	49862009
Reduced:	ClSO2F3N4H18C26 (1)
Stoich.:	ABC2D3E4F18G26 (1)
Weight, g/mol:	345.083744
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	4.95
IP(EA), eV:	-9.14(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyano-1H-imidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)C5=CC(=NC=C5)Cl)C(=O)N

DOS

IR

Vibrations