Geometry & MOs

Info

ID:	302840
PubChem CID:	124397380
Reduced:	NO2H21C27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	393.174022
ΔH_f, kcal/mol:	35.48
Dipole, Da:	2.1
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one

Drug info:

PubChemData

Smile

C1N2[C@H](C3=CC=CC=C3O1)OC(C4=CC=CC=C42)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations