Geometry & MOs

Info

ID:	183656
PubChem CID:	77049911
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	313.218784
ΔH_f, kcal/mol:	-39.22
Dipole, Da:	3.51
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CNC(NC1=O)SCC(C2=CC3=CC=CC=C3O2)N

DOS

IR

Vibrations