Geometry & MOs

Info

ID:	326865
PubChem CID:	126688445
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	474.15149
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	3.42
IP(EA), eV:	-8.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-[(3-fluorooxetan-3-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C#N)CCCO

DOS

IR

Vibrations