Geometry & MOs

Info

ID:	166699
PubChem CID:	74723238
Reduced:	NCl2S2O3H8C17 (1)
Stoich.:	AB2C2D3E8F17 (1)
Weight, g/mol:	422.13521
ΔH_f, kcal/mol:	12.82
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787577
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)SC2=S)C(=O)[O-]

DOS

IR

Vibrations