Geometry & MOs

Info

ID:	166695
PubChem CID:	74723234
Reduced:	SN2O6C22H25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	396.075109
ΔH_f, kcal/mol:	-199.98
Dipole, Da:	6.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758821
Charge, e:	-1

Chem-info

IUPAC name:

4-[3'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,5'-4H-pyrazole]-1'-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations