Geometry & MOs

Info

ID:

302447

PubChem CID:

124361766

Reduced:

N2O6H24C25 (1)

Stoich.:

A2B6C24D25 (1)

Weight, g/mol:

510.17102

ΔHf, kcal/mol:

-149.15

Dipole, Da:

3.25

IP(EA), eV:

 -8.44(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2'R,3R,3'S,10'bR)-2'-(2-chlorobenzoyl)-3'-(2,2-dimethylpropanoyl)spiro[1H-indole-3,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@H](C2([C@@H]3N1N=CC4=CC=CC=C34)C(=O)OC(OC2=O)(C)C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations