Geometry & MOs

Info

ID:

182065

PubChem CID:

76834859

Reduced:

SO2N4C21H22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

512.231122

ΔHf, kcal/mol:

-24.04

Dipole, Da:

5.8

IP(EA), eV:

 -8.85(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzylidene-1-[3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC=C1CCCCCN2C1=NC3=C(C2=O)C=CC(=C3)C(=O)NC4=NC=C(S4)C

DOS

IR

Vibrations