Geometry & MOs

Info

ID:	45947
PubChem CID:	10519521
Reduced:	ClNOC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	317.035794
ΔH_f, kcal/mol:	-88.82
Dipole, Da:	1.81
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-nitro-2-phenyl-1,4lambda6-benzoxathiine 4,4-dioxide

Drug info:

PubChemData

Smile

CCOC(=O)C1CNCCN1CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations