Geometry & MOs

Info

ID:	137200
PubChem CID:	52168323
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	1.43
IP(EA), eV:	-8.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R)-2-methylpiperidin-1-yl]-2,4-bis(prop-2-enyl)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N[C@H](C)C2=CC(=CC=C2)NS(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations