Geometry & MOs

Info

ID:	155976
PubChem CID:	56368556
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	490.132018
ΔH_f, kcal/mol:	-135.51
Dipole, Da:	4.66
IP(EA), eV:	-9.1(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCCC(=O)N3CCCCCC3

DOS

IR

Vibrations