Geometry & MOs

Info

ID:

307310

PubChem CID:

125299543

Reduced:

SN4O4C23H24 (1)

Stoich.:

AB4C4D23E24 (1)

Weight, g/mol:

469.155705

ΔHf, kcal/mol:

-70.34

Dipole, Da:

4.79

IP(EA), eV:

 -8.92(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,8R)-6-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=C(SC3=C2CCC3)NC(=O)C4=NNC(=C5C=CC=CC5=O)C4

DOS

IR

Vibrations