Geometry & MOs

Info

ID:	410582
PubChem CID:	135083382
Reduced:	SN2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	417.971247
ΔH_f, kcal/mol:	105.92
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.139706
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(2-phenylacetyl)-4-(3,3,3-trichloropropanoyl)-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

C[N+]1=C(SC(=C1C2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations