Geometry & MOs

Info

ID:	210292
PubChem CID:	80785663
Reduced:	SN3O4C11H15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	291.055674
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	7.03
IP(EA), eV:	-8.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=CC(=CC(=C1)[N+](=O)[O-])NC2CCS(=O)(=O)C2

DOS

IR

Vibrations