Geometry & MOs

Info

ID:	232906
PubChem CID:	87577561
Reduced:	PO4C23H41 (1)
Stoich.:	AB4C23D41 (1)
Weight, g/mol:	555.146407
ΔH_f, kcal/mol:	-288.49
Dipole, Da:	1.43
IP(EA), eV:	-8.46(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=CC(=CC(=C1O)C(C)(CC)CC)C(CC)(CC)P(=O)(O)O

DOS

IR

Vibrations