Geometry & MOs

Info

ID:

194712

PubChem CID:

78580078

Reduced:

S2F3N3O6H26C35 (1)

Stoich.:

A2B3C3D6E26F35 (1)

Weight, g/mol:

607.063856

ΔHf, kcal/mol:

-290.68

Dipole, Da:

4.37

IP(EA), eV:

 -8.67(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(8S)-11-(4-chlorophenyl)-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-8-yl]phenoxy]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@@H]2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)SC5=C2SC(=O)N5)OCC(=O)NC6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations