Geometry & MOs

Info

ID:	326906
PubChem CID:	126688613
Reduced:	F2O3N5C23H23 (1)
Stoich.:	A2B3C5D23E23 (1)
Weight, g/mol:	506.143547
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	5.14
IP(EA), eV:	-8.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CN(C(=O)C1N2)C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC=CC(=C5)C(F)F)CCCO

DOS

IR

Vibrations