Geometry & MOs

Info

ID:	185392
PubChem CID:	77294969
Reduced:	ClO4N8C25H33 (1)
Stoich.:	AB4C8D25E33 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	4.69
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-sulfamoylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2,3-dihydro-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C2=C3C(=NC(=NC3=NN2)N4CCOCC4)C5=CC=C(C=C5)NC(=O)OC)N.Cl

DOS

IR

Vibrations