Geometry & MOs

Info

ID:	189583
PubChem CID:	77876073
Reduced:	NO5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	503.074987
ΔH_f, kcal/mol:	-248.37
Dipole, Da:	4.78
IP(EA), eV:	-10.39(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(3,4-dichlorophenyl)-5-morpholin-4-yl-3-oxopent-1-enoxy]-2-oxoethyl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

CCCCCCOC1CC(=O)NC1(C(=O)OCCC)O

DOS

IR

Vibrations