Geometry & MOs

Info

ID:	191497
PubChem CID:	78154641
Reduced:	SN4O5C14H14 (1)
Stoich.:	AB4C5D14E14 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	5.33
IP(EA), eV:	-9.38(-1.19)
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)-N-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=NC(=O)C(=O)N=C3C=C2

DOS

IR

Vibrations