Geometry & MOs

Info

ID:

32270

PubChem CID:

6436261

Reduced:

O9C41H64 (1)

Stoich.:

A9B41C64 (1)

Weight, g/mol:

558.294116

ΔHf, kcal/mol:

-409.55

Dipole, Da:

8.46

IP(EA), eV:

 -8.54(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4E,6Z,8S,10E,12R,13S,16S,17R)-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CCC(C)/C=C(\C)/C=C/C=C(\C)/CC(C)CC(C)CC(CO)/C=C(\C)/C=C/C(C(C)(C)C1=CC(=O)C(=C(O1)O)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O

DOS

IR

Vibrations