Geometry & MOs

Info

ID:

83187

PubChem CID:

49857259

Reduced:

NOC16H26 (2)

Stoich.:

ABC16D26 (2)

Weight, g/mol:

468.371579

ΔHf, kcal/mol:

-110.16

Dipole, Da:

4.26

IP(EA), eV:

 -8.77(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2E,7R,9R,15S,21R,23R,29S,30S)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacont-2-ene-8,22-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN2CCC[C@@H]([C@H]2[C@H](C1=O)CCCC=C)CCCCC[C@@H]3[C@@H]4[C@H](CCCN4C[C@H](C3=O)C)C=C

DOS

IR

Vibrations