Geometry & MOs

Info

ID:

386791

PubChem CID:

134982947

Reduced:

OC9H9 (2)

Stoich.:

AB9C9 (2)

Weight, g/mol:

608.258994

ΔHf, kcal/mol:

-42.17

Dipole, Da:

3.51

IP(EA), eV:

 -8.15(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (5R,6S)-1,8-dimethyl-11-propan-2-yl-6-pyrrolidin-1-ylsulfonyl-3-(2-pyrrolidin-1-ylsulfonylethyl)-2-oxatricyclo[7.4.1.04,14]tetradeca-3,7,10,12-tetraene-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C3C(=CC2)C(=CC(=CC3=C1)C)C

DOS

IR

Vibrations