Geometry & MOs

Info

ID:

187597

PubChem CID:

77595685

Reduced:

SO2F3N4C24H31 (1)

Stoich.:

AB2C3D4E24F31 (1)

Weight, g/mol:

484.287198

ΔHf, kcal/mol:

-180.35

Dipole, Da:

10.54

IP(EA), eV:

 -8.83(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(CCC(=O)N2C)(C3CCC4(C(C3C1)CCC4C(=O)NC5=NN=C(S5)C(F)(F)F)C)C

DOS

IR

Vibrations