Geometry & MOs

Info

ID:

220204

PubChem CID:

85165360

Reduced:

N3O4S4H29C34 (1)

Stoich.:

A3B4C4D29E34 (1)

Weight, g/mol:

671.312983

ΔHf, kcal/mol:

-24.78

Dipole, Da:

3.78

IP(EA), eV:

 -7.94(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6,10-trimethyl-14-pyridin-4-yl-5,9-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-16,18-dione

Drug info:

PubChemData

Smile

CC[N+]1=C(SC2=CC=CC=C21)C=C3N(C(=O)C(=C4N(C5=CC=CC=C5S4)C)S3)C6=CC=CC=C6.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations