Geometry & MOs

Info

ID:	438286
PubChem CID:	135228017
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	405.196489
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	5.95
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-4-fluoro-1-[oxan-4-yl(phenyl)methyl]benzimidazole

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations