Geometry & MOs

Info

ID:

222940

PubChem CID:

85333349

Reduced:

N2O2C19H21 (2)

Stoich.:

A2B2C19D21 (2)

Weight, g/mol:

677.269224

ΔHf, kcal/mol:

-41.23

Dipole, Da:

2.17

IP(EA), eV:

 -7.99(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(7,11-dihydroxy-8,8,10,12,16-pentamethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecan-3-yl)prop-1-enyl]-1,3-thiazol-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C(=C4C(=C(C(=N4)C=C5C(=C(C(=C(C1=N2)C=CC(=O)O)N5)C)CC)C)CC)C=CC(=O)O)C)CC)C

DOS

IR

Vibrations