Geometry & MOs

Info

ID:	43192
PubChem CID:	10319300
Reduced:	ClIN2O2H6C15 (1)
Stoich.:	ABC2D2E6F15 (1)
Weight, g/mol:	409.206465
ΔH_f, kcal/mol:	21.69
Dipole, Da:	1.45
IP(EA), eV:	-9.52(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2R)-2-[(E)-4,4-difluoro-3-hydroxy-3-methyl-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=O)C3=NC4=C(C=C(C=C4)I)C(=O)N23

DOS

IR

Vibrations