Geometry & MOs

Info

ID:

334045

PubChem CID:

127252597

Reduced:

SN4O5C24H26 (1)

Stoich.:

AB4C5D24E26 (1)

Weight, g/mol:

428.121966

ΔHf, kcal/mol:

-89.81

Dipole, Da:

11.25

IP(EA), eV:

 -8.44(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yloxy)-N-[(4-hydroxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)C3=CC=C(C(=O)N3C2)[N+](=O)[O-])N4CC5=CC=CC=C5C4=O

DOS

IR

Vibrations