Geometry & MOs

Info

ID:

296770

PubChem CID:

117591966

Reduced:

N2O10H38C43 (1)

Stoich.:

A2B10C38D43 (1)

Weight, g/mol:

621.309038

ΔHf, kcal/mol:

-275.87

Dipole, Da:

10.48

IP(EA), eV:

 -8.58(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene;17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O.CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)OC)C

DOS

IR

Vibrations