Geometry & MOs

Info

ID:	326853
PubChem CID:	126688416
Reduced:	F2N4O5C25H26 (1)
Stoich.:	A2B4C5D25E26 (1)
Weight, g/mol:	494.157718
ΔH_f, kcal/mol:	-210.5
Dipole, Da:	7.08
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N(C(=N2)NC(=O)C3=CC=CC(=C3)C(F)F)CC4(CC4)CO)N5CCOCC5=O

DOS

IR

Vibrations