Geometry & MOs

Info

ID:	180835
PubChem CID:	76693061
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	488.325023
ΔH_f, kcal/mol:	-142.08
Dipole, Da:	4.41
IP(EA), eV:	-9.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[2-(icosa-5,8,11,14,17-pentaenoylamino)propanoyloxy]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations