Geometry & MOs

Info

ID:	326842
PubChem CID:	126688386
Reduced:	SF2N4O5C22H22 (1)
Stoich.:	AB2C4D5E22F22 (1)
Weight, g/mol:	569.188603
ΔH_f, kcal/mol:	-229.51
Dipole, Da:	9.7
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-4-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations