Geometry & MOs

Info

ID:

67351

PubChem CID:

46506326

Reduced:

ClSO2N4H29C33 (1)

Stoich.:

ABC2D4E29F33 (1)

Weight, g/mol:

447.125277

ΔHf, kcal/mol:

-2.26

Dipole, Da:

7.2

IP(EA), eV:

 -8.58(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(3,4-dimethylphenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3C(=C2C4=CC=C(C=C4)Cl)C(=C(S3)C(=O)N5CCCC6=CC=CC=C65)N)C)C

DOS

IR

Vibrations