Geometry & MOs

Info

ID:	153294
PubChem CID:	56312472
Reduced:	S2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	484.121453
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	7.81
IP(EA), eV:	-8.5(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C#N

DOS

IR

Vibrations