Geometry & MOs

Info

ID:

194718

PubChem CID:

78580734

Reduced:

ClS2F3N3O5H19C29 (1)

Stoich.:

AB2C3D3E5F19G29 (1)

Weight, g/mol:

665.129043

ΔHf, kcal/mol:

-267.49

Dipole, Da:

3.36

IP(EA), eV:

 -8.99(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(8S)-8-[4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-11-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H]2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5)OCC(=O)NC6=CC=CC=C6C(F)(F)F

DOS

IR

Vibrations