Geometry & MOs

Info

ID:

132988

PubChem CID:

51458879

Reduced:

S2O3N6C20H30 (1)

Stoich.:

A2B3C6D20E30 (1)

Weight, g/mol:

466.182081

ΔHf, kcal/mol:

-42.8

Dipole, Da:

5.2

IP(EA), eV:

 -8.65(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S)-3-(2,2-diethoxyethylsulfanyl)-15-ethyl-15-methyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,13(18)-tetraene

Drug info:

PubChemData

Smile

CC[C@@]1(CC2=C(CO1)SC3=C2C4NCNN4C5=NN=C(N35)SCC(OCC)OCC)C

DOS

IR

Vibrations