Geometry & MOs

Info

ID:

8998

PubChem CID:

84879

Reduced:

NO4C23H27 (1)

Stoich.:

AB4C23D27 (1)

Weight, g/mol:

381.194008

ΔHf, kcal/mol:

-61.26

Dipole, Da:

3.5

IP(EA), eV:

 -8.54(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1R,2S,6R,14R,15R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)[C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC

DOS

IR

Vibrations