Geometry & MOs

Info

ID:	326843
PubChem CID:	126688392
Reduced:	F3N5O5H26C28 (1)
Stoich.:	A3B5C5D26E28 (1)
Weight, g/mol:	460.138068
ΔH_f, kcal/mol:	-270.16
Dipole, Da:	4.24
IP(EA), eV:	-8.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C5=CC(=O)N(C=C5)CC(F)(F)F)CCCO

DOS

IR

Vibrations