Geometry & MOs

Info

ID:	396094
PubChem CID:	135027377
Reduced:	OS2N4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	386.120132
ΔH_f, kcal/mol:	80.49
Dipole, Da:	5.26
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@]23[C@](NC(=S)N2NC4=CC=CC=C4)(SC(=O)N3)C5=CC=CC=C5

DOS

IR

Vibrations