Geometry & MOs

Info

ID:	180837
PubChem CID:	76693063
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	397.298079
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	4.18
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxobutan-2-yl)docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CCC=CCC(=O)NCCSCCNC(=O)C1=CN=CC=C1

DOS

IR

Vibrations