Geometry & MOs

Info

ID:

218663

PubChem CID:

85089779

Reduced:

PN3O8C22H28 (1)

Stoich.:

AB3C8D22E28 (1)

Weight, g/mol:

493.152537

ΔHf, kcal/mol:

-330.17

Dipole, Da:

3.33

IP(EA), eV:

 -9.64(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

28-hydroxy-7,7-dimethoxy-5-methyl-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),11,17,20,22,24,27-heptaen-9,13-diyne-19,26-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=NC2=CC=CC=C2N=C1C=CP(=O)(OC)OC)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations