Geometry & MOs

Info

ID:	167979
PubChem CID:	74908348
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	4.73
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-methyl-2-oxo-1,3-diazinan-4-yl)sulfanyl]pentane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CC2CSC3N2C(=O)C4CNNC4N3)C

DOS

IR

Vibrations