Geometry & MOs

Info

ID:

237724

PubChem CID:

92721080

Reduced:

O3N4H24C27 (1)

Stoich.:

A3B4C24D27 (1)

Weight, g/mol:

454.146347

ΔHf, kcal/mol:

-26.74

Dipole, Da:

6.0

IP(EA), eV:

 -8.24(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-12,14-dimethyl-17-(4-methylphenyl)-9-thiophen-2-yl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C(=C4N2C5=CC=CC=C5N[C@@H]4C6=CC=C(O6)C)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations