Geometry & MOs

Info

ID:

15830

PubChem CID:

453209

Reduced:

N2O4C23H30 (1)

Stoich.:

A2B4C23D30 (1)

Weight, g/mol:

398.220557

ΔHf, kcal/mol:

-85.62

Dipole, Da:

0.97

IP(EA), eV:

 -7.9(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,15S,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC)C(=O)OC

DOS

IR

Vibrations