Geometry & MOs

Info

ID:	217413
PubChem CID:	85087778
Reduced:	F3O3N5C14H18 (1)
Stoich.:	A3B3C5D14E18 (1)
Weight, g/mol:	369.11069
ΔH_f, kcal/mol:	-182.21
Dipole, Da:	2.84
IP(EA), eV:	-9.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(4-sulfamoylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CCC(CN(C=O)O)C(=O)NNC2=NC=CC(=N2)C(F)(F)F

DOS

IR

Vibrations