Geometry & MOs

Info

ID:

7433

PubChem CID:

72613

Reduced:

NCl2O6C18H27 (1)

Stoich.:

AB2C6D18E27 (1)

Weight, g/mol:

423.121543

ΔHf, kcal/mol:

-309.81

Dipole, Da:

1.76

IP(EA), eV:

 -9.1(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O.Cl

DOS

IR

Vibrations