Geometry & MOs

Info

ID:	173313
PubChem CID:	75622652
Reduced:	SN3O4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754665
Charge, e:	0

Chem-info

IUPAC name:

N,1,3-trimethyl-2,4-dioxo-N-(1-phenylethyl)-1,3-diazinane-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NS(=O)(=O)C2C=[N+](C(=O)N(C2=O)C)C

DOS

IR

Vibrations