Geometry & MOs

Info

ID:	227017
PubChem CID:	87559665
Reduced:	N3C12H29 (1)
Stoich.:	A3B12C29 (1)
Weight, g/mol:	896.555082
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	4.64
IP(EA), eV:	-8.81(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-methoxyphenyl)-[(4-methoxyphenyl)methoxy]-phenylmethyl]-1-[6-[[(E)-octadec-9-enoyl]amino]hexanoyl]pyrrolidin-3-yl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCNCNCNCCCCC

DOS

IR

Vibrations