Geometry & MOs

Info

ID:

219935

PubChem CID:

85165063

Reduced:

ClNO2C17H24 (2)

Stoich.:

ABC2D17E24 (2)

Weight, g/mol:

618.16798

ΔHf, kcal/mol:

-240.83

Dipole, Da:

4.9

IP(EA), eV:

 -9.24(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 9-bromo-8-hydroxy-6-phenylmethoxy-2,2,4,4-tetra(propan-2-yl)-5a,6,9,9a-tetrahydropyrano[3,4-f][1,3,5,2,4]trioxadisilepine-8-carboxylate

Drug info:

PubChemData

Smile

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations