Geometry & MOs

Info

ID:

302359

PubChem CID:

124361396

Reduced:

NO5C32H49 (1)

Stoich.:

AB5C32D49 (1)

Weight, g/mol:

489.205242

ΔHf, kcal/mol:

-241.39

Dipole, Da:

7.2

IP(EA), eV:

 -8.3(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-10-(3-methylanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N2CCC3=CC(=C(C=C3[C@@H]2C)OC)OC)O

DOS

IR

Vibrations