Geometry & MOs

Info

ID:	394928
PubChem CID:	135024181
Reduced:	O9C26H36 (1)
Stoich.:	A9B26C36 (1)
Weight, g/mol:	457.134779
ΔH_f, kcal/mol:	-340.72
Dipole, Da:	6.05
IP(EA), eV:	-8.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]methylidene]pentane-2,4-dione

Drug info:

PubChemData

Smile

COCO[C@H]1C[C@@H](O[C@@H](C1)[C@H](CC2=CC=C(C=C2)OCOC)O)C3=CC(=C(C=C3)OCOC)OC

DOS

IR

Vibrations