Geometry & MOs

Info

ID:	39515
PubChem CID:	8141117
Reduced:	ClSN2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	392.044248
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	1.8
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations