Geometry & MOs

Info

ID:	297132
PubChem CID:	117609944
Reduced:	NOC6H7 (5)
Stoich.:	ABC6D7 (5)
Weight, g/mol:	491.162725
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	4.42
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-methyl-5-(7-morpholin-4-yl-3H-benzimidazol-5-yl)pyridin-3-yl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=NC=C2)C(C)(C)O)C3=CC(=C(N=C3)OC4CC5(C4)COC5)N6CCOCC6

DOS

IR

Vibrations