Geometry & MOs

Info

ID:	49246
PubChem CID:	11532273
Reduced:	ClSO3N6H13C19 (1)
Stoich.:	ABC3D6E13F19 (1)
Weight, g/mol:	442.092057
ΔH_f, kcal/mol:	97.74
Dipole, Da:	7.34
IP(EA), eV:	-9.52(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-(imidazo[4,5-b]pyridin-3-ylmethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations