Geometry & MOs

Info

ID:

133031

PubChem CID:

51465052

Reduced:

SN4O6C20H20 (1)

Stoich.:

AB4C6D20E20 (1)

Weight, g/mol:

468.213696

ΔHf, kcal/mol:

-168.75

Dipole, Da:

10.65

IP(EA), eV:

 -10.03(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aR,8S,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations