Geometry & MOs

Info

ID:	225755
PubChem CID:	87225904
Reduced:	N3O6C35H43 (1)
Stoich.:	A3B6C35D43 (1)
Weight, g/mol:	452.267508
ΔH_f, kcal/mol:	-172.14
Dipole, Da:	9.85
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-7-(naphthalen-1-yloxymethyl)-8-[3-(2-oxopyrrolidin-1-yl)propylamino]oct-6-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCN1C(=O)O)NC/C(=C\C2=CC=C(C=C2)C(=O)NOC3CCCCO3)/COC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations