Geometry & MOs

Info

ID:

85349

PubChem CID:

49874164

Reduced:

N2O11C38H54 (1)

Stoich.:

A2B11C38D54 (1)

Weight, g/mol:

479.288303

ΔHf, kcal/mol:

-405.87

Dipole, Da:

5.01

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,3S,4S,5S,6R,8S,12R,16R,19R,20S,21R)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol

Drug info:

PubChemData

Smile

CCN1C[C@]2(CC[C@H]([C@]34[C@H]2[C@@H]([C@](C31)([C@@]5(C[C@H]([C@@H]6C[C@H]4[C@H]5[C@@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C(C)CC(=O)OC

DOS

IR

Vibrations