Geometry & MOs

Info

ID:	56888
PubChem CID:	22394735
Reduced:	NF3O4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	391.155036
ΔH_f, kcal/mol:	-354.3
Dipole, Da:	1.62
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(E)-4-(3-chlorophenyl)-3-oxobut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1CCC(=O)CC2=CC=CC=C2C(F)(F)F)CCCCCCC(=O)O

DOS

IR

Vibrations