Geometry & MOs

Info

ID:	229586
PubChem CID:	87568090
Reduced:	SCl2O2N5C23H27 (1)
Stoich.:	AB2C2D5E23F27 (1)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	8.03
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-14-(3-ethyloxiran-2-yl)tetradeca-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)N2CC3(CCC(CC3)CNC4=NC(=CS4)C5=CC=CC=N5)OC2=O.Cl.Cl

DOS

IR

Vibrations