Geometry & MOs

Info

ID:

237115

PubChem CID:

92717467

Reduced:

ClN3O4H24C25 (1)

Stoich.:

AB3C4D24E25 (1)

Weight, g/mol:

471.215806

ΔHf, kcal/mol:

-117.26

Dipole, Da:

6.98

IP(EA), eV:

 -8.74(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13R)-13-(2-hydroxy-3-prop-2-enylphenyl)-3,5,10,10-tetramethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

Drug info:

PubChemData

Smile

CC1(CO[C@@H](C2=C3C(=C(N21)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C5=C(C=CC(=C5)Cl)O)C

DOS

IR

Vibrations