Geometry & MOs

Info

ID:

138254

PubChem CID:

52334451

Reduced:

Cl2N2O2C17H24 (1)

Stoich.:

A2B2C2D17E24 (1)

Weight, g/mol:

452.184841

ΔHf, kcal/mol:

-124.12

Dipole, Da:

5.2

IP(EA), eV:

 -9.41(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,10R,11R)-11-(3,4-dimethoxyphenyl)-4-methyl-9-phenyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,13,15-hexaene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C)(C)C)NC(=O)C(C)(C)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations