Geometry & MOs

Info

ID:	396093
PubChem CID:	135027376
Reduced:	OS2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	418.092204
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	6.74
IP(EA), eV:	-8.46(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-4-anilino-3a,6a-diphenyl-5-sulfanylidene-3,6-dihydroimidazo[4,5-d][1,3]thiazol-2-one

Drug info:

PubChemData

Smile

C[C@@]12[C@@](N(C(=S)N1)C)(N(C(=NC(=O)C(C)(C)C)S2)C)C

DOS

IR

Vibrations