Geometry & MOs

Info

ID:	182210
PubChem CID:	76861259
Reduced:	SO3N6H24C25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	392.086303
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	5.33
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(C(=O)NC2=O)N(CC3=CC=CC=C3)CC4=CC(=O)N5C=CSC5=N4)N

DOS

IR

Vibrations