Geometry & MOs

Info

ID:	59284
PubChem CID:	24775895
Reduced:	O2N7C39H41 (1)
Stoich.:	A2B7C39D41 (1)
Weight, g/mol:	502.09035
ΔH_f, kcal/mol:	91.83
Dipole, Da:	6.36
IP(EA), eV:	-8.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-3-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CCNC1=CC2=C(C=C1C)N=C3C4=CC=CC=C4C(=NCCCNC(=O)C5=CC(=CC=C5)N=NC6=CC=C(C=C6)N(CC)CC)C=C3O2

DOS

IR

Vibrations