Geometry & MOs

Info

ID:	232552
PubChem CID:	87576410
Reduced:	SN2O4H26C30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	456.06847
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	5.87
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=C(C=C4)C5=CC6=CC=CC=C6S5)NC3=O

DOS

IR

Vibrations