Geometry & MOs

Info

ID:

49429

PubChem CID:

11533010

Reduced:

FN3O3C28H30 (1)

Stoich.:

AB3C3D28E30 (1)

Weight, g/mol:

475.145344

ΔHf, kcal/mol:

-82.05

Dipole, Da:

6.09

IP(EA), eV:

 -8.77(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15R,16R,19S,20S)-19-ethoxy-16-[(S)-(4-methylphenyl)sulfinyl]-18,21-dioxa-1-azapentacyclo[13.6.0.02,7.09,14.016,20]henicosa-2,4,6,9,11,13-hexaen-17-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(C2=CC=C(C=C2)F)C(=O)N(C)CC3=C(C(=CC4=CC=CC=C43)C#N)OC

DOS

IR

Vibrations