Geometry & MOs

Info

ID:	237001
PubChem CID:	92716729
Reduced:	ClFN2O2S2C20H20 (1)
Stoich.:	ABC2D2E2F20G20 (1)
Weight, g/mol:	338.11227
ΔH_f, kcal/mol:	-87.79
Dipole, Da:	4.39
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-N-(3,5-dimethylphenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CC2=C(C=C(C=C2)F)Cl)C3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)C

DOS

IR

Vibrations