Geometry & MOs

Info

ID:	230415
PubChem CID:	87570844
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	937.893845
ΔH_f, kcal/mol:	3.14
Dipole, Da:	4.26
IP(EA), eV:	-9.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-[[(E)-1-[[(E)-octadec-9-enoyl]amino]-4-oxohenicos-12-enyl]amino]butyl]octadec-9-enamide

Drug info:

PubChemData

Smile

C1C=CC(=CC1(N=C=O)N=C=O)CC2=CC=CC=C2

DOS

IR

Vibrations