Geometry & MOs

Info

ID:	41623
PubChem CID:	8146608
Reduced:	SN4O4H16C19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	372.04734
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	2.76
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[benzyl(ethyl)amino]methyl]-5-bromoindole-2,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations