Geometry & MOs

Info

ID:	326892
PubChem CID:	126688580
Reduced:	F2O4N5C26H27 (1)
Stoich.:	A2B4C5D26E27 (1)
Weight, g/mol:	510.152632
ΔH_f, kcal/mol:	-193.06
Dipole, Da:	5.0
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)N4CCOCC4=O)N=C2NC(=O)C5=CC=CC(=C5)C(F)F

DOS

IR

Vibrations