Geometry & MOs

Info

ID:	48531
PubChem CID:	11078774
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-26.95
Dipole, Da:	6.71
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CCC2)/C=N/OCC3=CC=CC=C3

DOS

IR

Vibrations