Geometry & MOs

Info

ID:	158294
PubChem CID:	56463311
Reduced:	OSF2N3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	429.165703
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	8.25
IP(EA), eV:	-8.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2CCN(C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations