Geometry & MOs

Info

ID:	326835
PubChem CID:	126688327
Reduced:	SF2O3N4C22H22 (1)
Stoich.:	AB2C3D4E22F22 (1)
Weight, g/mol:	506.157718
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	2.71
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCN1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations