Geometry & MOs

Info

ID:

194724

PubChem CID:

78582015

Reduced:

S2N3O7H33C37 (1)

Stoich.:

A2B3C7D33E37 (1)

Weight, g/mol:

718.90182

ΔHf, kcal/mol:

-203.74

Dipole, Da:

7.08

IP(EA), eV:

 -9.01(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4[C@H](C6=C(S5)NC(=O)S6)C7=CC=C(C=C7)OCC(=O)NC8=CC=CC=C8C

DOS

IR

Vibrations