Geometry & MOs

Info

ID:	326885
PubChem CID:	126688560
Reduced:	F3O3N5C22H22 (1)
Stoich.:	A3B3C5D22E22 (1)
Weight, g/mol:	474.15149
ΔH_f, kcal/mol:	-205.09
Dipole, Da:	8.69
IP(EA), eV:	-8.67(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations