Geometry & MOs

Info

ID:

176537

PubChem CID:

76063970

Reduced:

S2O6N9H25C27 (1)

Stoich.:

A2B6C9D25E27 (1)

Weight, g/mol:

400.233763

ΔHf, kcal/mol:

-78.49

Dipole, Da:

8.29

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-4,10b-dimethyl-3-oxo-8-(trifluoromethyl)-2,4a,5,6,6a,7,8,9-octahydro-1H-benzo[f]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4C5=CC=CC=C5NC4=O)SC1)C(=O)O)SC6=NNN=N6

DOS

IR

Vibrations