Geometry & MOs

Info

ID:

124905

PubChem CID:

50902366

Reduced:

F2N5O6C32H33 (1)

Stoich.:

A2B5C6D32E33 (1)

Weight, g/mol:

664.23447

ΔHf, kcal/mol:

-256.48

Dipole, Da:

7.55

IP(EA), eV:

 -9.32(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-benzyl 1-O-[[(10S,15R)-6-[(2,4-difluorophenyl)methylcarbamoyl]-2,5-dioxo-1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,6-dien-4-yl]oxymethyl] 2,2-dimethylpropanedioate

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CC=CC=C1)C(=O)OCOC2=C3C(=O)N4C[C@H]5CCCN5[C@@H]4CN3C=C(C2=O)C(=O)NCC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations