Geometry & MOs

Info

ID:	178616
PubChem CID:	76356856
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-65.2
Dipole, Da:	8.5
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2CCC(CC2NC1=S)C(=O)N(CC=C)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations