Geometry & MOs

Info

ID:	84179
PubChem CID:	49864792
Reduced:	N4O4H24C29 (1)
Stoich.:	A4B4C24D29 (1)
Weight, g/mol:	383.318815
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	0.75
IP(EA), eV:	-8.29(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z,12Z)-N-[(1S)-1-phenylethyl]octadeca-9,12-dienamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C=CC=C4)/C(=C(\C)/NNC(=O)C5=CC=C(C=C5)C(=O)O)/C2=O

DOS

IR

Vibrations