Geometry & MOs

Info

ID:	226371
PubChem CID:	87351060
Reduced:	BrO3N4C28H37 (1)
Stoich.:	AB3C4D28E37 (1)
Weight, g/mol:	526.304287
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	40.11
IP(EA), eV:	-5.39(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC(=O)C[N+]23CCC(CC2)C(C3)OC(=O)C4(CCCCCC4)C5=CC=CC=C5.[Br-]

DOS

IR

Vibrations