Geometry & MOs

Info

ID:	174493
PubChem CID:	75772710
Reduced:	F2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	451.146283
ΔH_f, kcal/mol:	-145.9
Dipole, Da:	6.97
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-3-(6-oxo-2,4-diphenyl-1,3-diazinan-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)N(C(N1)C2=CC=CC=C2)CCC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations