Geometry & MOs

Info

ID:

383553

PubChem CID:

134975340

Reduced:

N3O5C17H19 (1)

Stoich.:

A3B5C17D19 (1)

Weight, g/mol:

614.251583

ΔHf, kcal/mol:

-163.01

Dipole, Da:

10.79

IP(EA), eV:

 -9.2(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4S,5R,7R,8E,10S,12E)-7-acetyloxy-4-benzoyloxy-10-[(4-methoxyphenyl)methoxy]-12-methyl-17-oxatricyclo[12.2.1.02,5]heptadeca-1(16),8,12,14-tetraene-16-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CC1)C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N

DOS

IR

Vibrations