Geometry & MOs

Info

ID:	138536
PubChem CID:	52382075
Reduced:	O3N4H26C31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	449.162708
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	3.48
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-2-oxoindol-3-yl]-1-phenylbutane-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N[C@]35C6=CC=CC=C6N(C5=O)C

DOS

IR

Vibrations