Geometry & MOs

Info

ID:	326889
PubChem CID:	126688565
Reduced:	SF3O3N4H21C22 (1)
Stoich.:	AB3C3D4E21F22 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-207.82
Dipole, Da:	8.93
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CSCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations