Geometry & MOs

Info

ID:	191683
PubChem CID:	78176483
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	3.27
IP(EA), eV:	-10.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1=O)NC(C#N)C2=CC=CC=C2

DOS

IR

Vibrations