Geometry & MOs

Info

ID:	401321
PubChem CID:	135050907
Reduced:	ClNOSC4H9 (2)
Stoich.:	ABCDE4F9 (2)
Weight, g/mol:	336.070599
ΔH_f, kcal/mol:	-140.47
Dipole, Da:	9.03
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 8-O-methyl 5a-nitro-8,8a-dihydropyrazolo[3,4-g][2,1]benzoxazole-3,8-dicarboxylate

Drug info:

PubChemData

Smile

COC(=[NH2+])CCSSCCC(=[NH2+])OC.[Cl-].[Cl-]

DOS

IR

Vibrations