Geometry & MOs

Info

ID:	327142
PubChem CID:	126689088
Reduced:	FNO4C35H36 (1)
Stoich.:	ABC4D35E36 (1)
Weight, g/mol:	447.184586
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	4.14
IP(EA), eV:	-8.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[4-[[4-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]methyl]phenyl]-4-oxopyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)OC)F)CC3=CC=C(C=C3)N4CC5(C[C@@H]4COCC6=CC=CC=C6)OCCO5

DOS

IR

Vibrations