Geometry & MOs

Info

ID:	232658
PubChem CID:	87576650
Reduced:	N2O4C8H15 (2)
Stoich.:	A2B4C8D15 (2)
Weight, g/mol:	510.161329
ΔH_f, kcal/mol:	-348.35
Dipole, Da:	6.86
IP(EA), eV:	-9.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations