Geometry & MOs

Info

ID:	383411
PubChem CID:	134975117
Reduced:	SO3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	5.0
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(3-methyl-1H-indol-2-yl)-(4-methylphenyl)methyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCOC(=S)SC(CCC1=CC(=C(C(=C1)OC)OC)OC)COC(=O)C

DOS

IR

Vibrations