Geometry & MOs

Info

ID:	181970
PubChem CID:	76822006
Reduced:	ClNF2O4C27H34 (1)
Stoich.:	ABC2D4E27F34 (1)
Weight, g/mol:	521.209964
ΔH_f, kcal/mol:	-274.58
Dipole, Da:	2.63
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-chloro-6-[1-[3-[2-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CCC(C1=C(C(=CC(=C1)F)F)CCC(=O)O)OCC(CN2CCCC2CC3=CC(=C(C=C3)C)Cl)O

DOS

IR

Vibrations