Geometry & MOs

Info

ID:

43242

PubChem CID:

10320058

Reduced:

ON2H11C13 (2)

Stoich.:

AB2C11D13 (2)

Weight, g/mol:

422.149616

ΔHf, kcal/mol:

45.81

Dipole, Da:

4.93

IP(EA), eV:

 -8.59(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5'S,7S,8R,9R,11S,12R)-3-(chloromethyl)-5'-(furan-3-yl)-1,9-dimethylspiro[2,14,15-trioxatetracyclo[9.3.1.03,12.07,12]pentadecane-8,3'-oxolane]-2'-one

Drug info:

PubChemData

Smile

C1CN(CCC12C3=C(C=CN=C3)C(=O)O2)C4=NNC(=C4)C5=CC=CC(=C5)C6=CC=CC=C6

DOS

IR

Vibrations