Geometry & MOs

Info

ID:	181978
PubChem CID:	76822436
Reduced:	ClNO4C29H40 (1)
Stoich.:	ABC4D29E40 (1)
Weight, g/mol:	517.300365
ΔH_f, kcal/mol:	-189.52
Dipole, Da:	4.63
IP(EA), eV:	-9.08(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CC2CCCN2CC(COC(C)C3=CC=CC=C3CCC(=O)OCC)O)Cl

DOS

IR

Vibrations