Geometry & MOs

Info

ID:

218819

PubChem CID:

85090027

Reduced:

SN4O9C21H30 (1)

Stoich.:

AB4C9D21E30 (1)

Weight, g/mol:

514.23868

ΔHf, kcal/mol:

-274.11

Dipole, Da:

5.57

IP(EA), eV:

 -9.28(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[tert-butyl(dimethyl)silyl]oxy-8-(2-oxoethyl)-11-phenyl-3,10,12-trioxatetracyclo[6.5.1.19,13.04,14]pentadec-6-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C)C)S(=O)(=O)NC(=NCC2CC2(C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations