Geometry & MOs

Info

ID:	227760
PubChem CID:	87562407
Reduced:	BrCl2O2F3N4H32C34 (1)
Stoich.:	AB2C2D3E4F32G34 (1)
Weight, g/mol:	402.095082
ΔH_f, kcal/mol:	-182.82
Dipole, Da:	4.97
IP(EA), eV:	-9.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(2R)-2-hydroxy-2-phenylacetyl] 2-hydroxybutanedioate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C(F)(F)F)C(=O)N(CC)C2=C(N=C(C(=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br)CN(C)CCC(=O)N

DOS

IR

Vibrations