Geometry & MOs

Info

ID:	128163
PubChem CID:	51033154
Reduced:	SO4C13H15 (2)
Stoich.:	AB4C13D15 (2)
Weight, g/mol:	506.05897
ΔH_f, kcal/mol:	-309.31
Dipole, Da:	4.09
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-8',8'-dimethyl-2'-phenylspiro[1H-indole-3,5'-7,9-dihydro-[1,2,4]triazolo[1,2-a]indazole]-1',2,3',6'-tetrone

Drug info:

PubChemData

Smile

COC(=O)C(CC(C1=CC=CC=C1)SSC(CC(C(=O)OC)C(=O)OC)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations