Geometry & MOs

Info

ID:	144033
PubChem CID:	53303074
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	4.17
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-thiomorpholin-4-ylpenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations