Geometry & MOs

Info

ID:	232802
PubChem CID:	87577073
Reduced:	S2O3N8C25H30 (1)
Stoich.:	A2B3C8D25E30 (1)
Weight, g/mol:	458.147786
ΔH_f, kcal/mol:	5.76
Dipole, Da:	5.42
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[6-(3,4-dihydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]1OC2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=C(S5)NC(=O)NCCN6CCOCC6)C=C2

DOS

IR

Vibrations