Geometry & MOs

Info

ID:

319460

PubChem CID:

126656105

Reduced:

N4O8C35H54 (1)

Stoich.:

A4B8C35D54 (1)

Weight, g/mol:

658.394165

ΔHf, kcal/mol:

-324.57

Dipole, Da:

3.36

IP(EA), eV:

 -8.67(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4E,6Z,8S,9R,10E,12S,13R,14S,16S,17R)-9-carbamoyloxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-20-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]([C@@H](C(/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=CC(=C2)[C@@H]1OC)OC(=O)N(C)CCNC)/C)C)OC(=O)N)\C)C)OC)OC

DOS

IR

Vibrations