Geometry & MOs

Info

ID:	232251
PubChem CID:	87575812
Reduced:	ClO3N7C23H30 (1)
Stoich.:	AB3C7D23E30 (1)
Weight, g/mol:	482.130028
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	9.46
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2C[C@H](C3=C2N=C(N=C3Cl)N)CC(=O)N4CCCC(C4)C(=O)N

DOS

IR

Vibrations