Geometry & MOs

Info

ID:

305039

PubChem CID:

124766453

Reduced:

ClNO2H10C15 (2)

Stoich.:

ABC2D10E15 (2)

Weight, g/mol:

542.080012

ΔHf, kcal/mol:

-35.28

Dipole, Da:

3.43

IP(EA), eV:

 -9.49(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6S,8R,12R)-4,10-bis(3-chlorophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C23C=CC([C@@H]4[C@H]2C(=O)N(C4=O)C5=CC(=CC=C5)Cl)[C@@H]6[C@H]3C(=O)N(C6=O)C7=CC(=CC=C7)Cl

DOS

IR

Vibrations