Geometry & MOs

Info

ID:	179544
PubChem CID:	76496102
Reduced:	F2N2O3C39H48 (1)
Stoich.:	A2B2C3D39E48 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-164.27
Dipole, Da:	2.16
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-cyclopentyl-3-(1,3-dioxoisoindol-2-yl)-2-oxoazepan-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C(CC2CC2)N3CC(C(C3)C4=CC(=CC=C4)F)CN5CCC(CC5)CCCC6=CC=C(C=C6)F

DOS

IR

Vibrations