Geometry & MOs

Info

ID:	191492
PubChem CID:	78154211
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	421.178376
ΔH_f, kcal/mol:	-22.15
Dipole, Da:	3.39
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)NC(=O)CCC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations