Geometry & MOs

Info

ID:	127372
PubChem CID:	51000653
Reduced:	FN4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	355.070071
ΔH_f, kcal/mol:	43.05
Dipole, Da:	2.98
IP(EA), eV:	-7.95(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-phenyl-3-(pyridin-2-yldisulfanyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC(C2=CC=C(C=C2)F)NCC3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations