Geometry & MOs

Info

ID:	232812
PubChem CID:	87577107
Reduced:	ClO3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	428.03717
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	8.1
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-(6-bromo-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(C3=C2N=C(N=C3Cl)N)C(=O)OC

DOS

IR

Vibrations