Geometry & MOs

Info

ID:

194720

PubChem CID:

78580736

Reduced:

S2N3O7H27C35 (1)

Stoich.:

A2B3C7D27E35 (1)

Weight, g/mol:

565.134128

ΔHf, kcal/mol:

-176.07

Dipole, Da:

3.99

IP(EA), eV:

 -8.64(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-11-(4-methoxyphenyl)-8-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3[C@H](C4=C(NC(=O)S4)SC3C2=O)C5=CC=C(C=C5)OCC(=O)NC6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations