Geometry & MOs

Info

ID:	320509
PubChem CID:	126661488
Reduced:	NC15H25 (1)
Stoich.:	AB15C25 (1)
Weight, g/mol:	478.116704
ΔH_f, kcal/mol:	-2.49
Dipole, Da:	5.22
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-4,5-dihydro-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)C/C(=C\C=C(/C)\C#N)/C

DOS

IR

Vibrations