Geometry & MOs

Info

ID:	394779
PubChem CID:	135023801
Reduced:	SO4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	433.120861
ΔH_f, kcal/mol:	45.63
Dipole, Da:	6.96
IP(EA), eV:	-8.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2(C1C3(C4=CC=CC=C4NC3=O)C(=C(N2C)SC)[N+](=O)[O-])O)C5=CC=CC=C5

DOS

IR

Vibrations