Geometry & MOs

Info

ID:	326815
PubChem CID:	126688268
Reduced:	F3O3N5C26H28 (1)
Stoich.:	A3B3C5D26E28 (1)
Weight, g/mol:	458.176562
ΔH_f, kcal/mol:	-193.22
Dipole, Da:	6.73
IP(EA), eV:	-8.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(4-hydroxybutan-2-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(=O)N(CC2)C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)CCCO

DOS

IR

Vibrations