Geometry & MOs

Info

ID:	326899
PubChem CID:	126688602
Reduced:	F3N5O6C29H32 (1)
Stoich.:	A3B5C6D29E32 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-367.54
Dipole, Da:	2.43
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[1-(oxan-2-ylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)OCCCN1C2=C(C=C(C=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations