Geometry & MOs

Info

ID:

221734

PubChem CID:

85286089

Reduced:

N3S3O7C27H41 (1)

Stoich.:

A3B3C7D27E41 (1)

Weight, g/mol:

615.187124

ΔHf, kcal/mol:

-310.68

Dipole, Da:

3.07

IP(EA), eV:

 -8.58(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,9-diacetyloxy-14-(6-chloropyridin-3-yl)-2,6,10-trimethyl-16,18-dioxo-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC(CNC(=O)C1=CC2=C(S1)SC(=C2)CCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations