Geometry & MOs

Info

ID:	232551
PubChem CID:	87576409
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	510.161329
ΔH_f, kcal/mol:	-161.69
Dipole, Da:	11.12
IP(EA), eV:	-8.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(E)-[6-(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

COC1=CC\2=C(C=C1)NC(=O)/C2=C/C3=C(C4=C(N3)CCCC4=O)CCC(=O)O

DOS

IR

Vibrations