Geometry & MOs

Info

ID:	324354
PubChem CID:	126677492
Reduced:	N2F3O3C21H33 (1)
Stoich.:	A2B3C3D21E33 (1)
Weight, g/mol:	379.290886
ΔH_f, kcal/mol:	-306.49
Dipole, Da:	4.81
IP(EA), eV:	-9.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13Z,16Z)-1-(thiaziridin-3-yl)docosa-13,16-dien-1-one

Drug info:

PubChemData

Smile

CCC1CC(=NCC2CC2)C(N(C1)C(=O)CC(F)(F)F)[C@H](C)OC(=O)C(C)(C)C

DOS

IR

Vibrations