Geometry & MOs

Info

ID:	232653
PubChem CID:	87576642
Reduced:	BrC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	499.141321
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	4.0
IP(EA), eV:	-10.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CCC(CCCC)Br)Br

DOS

IR

Vibrations