Geometry & MOs

Info

ID:

44474

PubChem CID:

10503692

Reduced:

N3O5C24H39 (1)

Stoich.:

A3B5C24D39 (1)

Weight, g/mol:

449.223594

ΔHf, kcal/mol:

-228.87

Dipole, Da:

2.64

IP(EA), eV:

 -9.28(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enyl] (1S,3Z,6S,7S,8R,11S)-7,11-dihydroxy-6,8,10,10-tetramethyl-9-oxocycloundec-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N(CCC1=CC=CC=C1)O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations