Geometry & MOs

Info

ID:	394778
PubChem CID:	135023798
Reduced:	NO2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	451.131425
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	3.41
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'a-hydroxy-3',7'-dimethyl-6'-methylsulfanyl-5'-nitro-1'-phenylspiro[1H-indole-3,4'-3aH-pyrazolo[3,4-b]pyridine]-2-one

Drug info:

PubChemData

Smile

COC(=O)C(CC#N)(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=CC=CO3

DOS

IR

Vibrations