Geometry & MOs

Info

ID:	128967
PubChem CID:	51064220
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	345.0597
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	9.84
IP(EA), eV:	-10.11(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations