Geometry & MOs

Info

ID:	326839
PubChem CID:	126688368
Reduced:	SF2O3N4C24H26 (1)
Stoich.:	AB2C3D4E24F26 (1)
Weight, g/mol:	502.146404
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	6.16
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(2-oxo-1,3-oxazinan-3-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]methyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCN1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations