Geometry & MOs

Info

ID:	327139
PubChem CID:	126689077
Reduced:	FNO4C28H30 (1)
Stoich.:	ABC4D28E30 (1)
Weight, g/mol:	539.247187
ΔH_f, kcal/mol:	-171.87
Dipole, Da:	3.55
IP(EA), eV:	-8.4(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,4S)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methoxy]phenyl]-4-phenylpyrrolidin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)OC)F)CC3=CC=C(C=C3)N4C[C@@H](C[C@H]4CC(=O)OC)O

DOS

IR

Vibrations