Geometry & MOs

Info

ID:

237720

PubChem CID:

92721069

Reduced:

S2N4O4C19H22 (1)

Stoich.:

A2B4C4D19E22 (1)

Weight, g/mol:

478.200491

ΔHf, kcal/mol:

-104.69

Dipole, Da:

9.66

IP(EA), eV:

 -8.28(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-9-(4-ethoxyphenyl)-12,14-dimethyl-17-phenyl-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

CN1C2=C(C=C(C=C2)NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4)N(C1=O)C

DOS

IR

Vibrations