Geometry & MOs

Info

ID:	328426
PubChem CID:	126722992
Reduced:	N3O5C34H57 (1)
Stoich.:	A3B5C34D57 (1)
Weight, g/mol:	457.355594
ΔH_f, kcal/mol:	-228.12
Dipole, Da:	3.24
IP(EA), eV:	-9.46(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C(/C=C\CCCCCC(=O)N[C@@H](CC(C)C)C(=O)O)OC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations