Geometry & MOs

Info

ID:

187156

PubChem CID:

77536672

Reduced:

SO4N6C36H40 (1)

Stoich.:

AB4C6D36E40 (1)

Weight, g/mol:

421.272927

ΔHf, kcal/mol:

-44.91

Dipole, Da:

4.91

IP(EA), eV:

 -8.46(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl)-N-(3-methylpyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CN(C)C4=CN=CC(=C4)C(C)C)O)C5=CN=CO5

DOS

IR

Vibrations