Geometry & MOs

Info

ID:	225901
PubChem CID:	87236006
Reduced:	ClN5H6F8C14 (1)
Stoich.:	AB5C6D8E14 (1)
Weight, g/mol:	602.94801
ΔH_f, kcal/mol:	-285.8
Dipole, Da:	3.89
IP(EA), eV:	-9.6(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-[2,6-dibromo-4-(1-hydroxy-1-phosphorosoethyl)phenoxy]-2-hydroxybenzoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@](C1(F)F)(C2=C(N(N=C2C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl)N)C(F)(F)F

DOS

IR

Vibrations