Geometry & MOs

Info

ID:

125789

PubChem CID:

50938728

Reduced:

Cl2N5O6C12H15 (1)

Stoich.:

A2B5C6D12E15 (1)

Weight, g/mol:

654.270794

ΔHf, kcal/mol:

-230.69

Dipole, Da:

6.87

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6R,10R,13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)N=C(N)N=C(N)N.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations