Geometry & MOs

Info

ID:	26906
PubChem CID:	803987
Reduced:	SO3N4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	32.5
Dipole, Da:	7.29
IP(EA), eV:	-9.02(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations