Geometry & MOs

Info

ID:	156286
PubChem CID:	56369978
Reduced:	ClOSF3N5C19H23 (1)
Stoich.:	ABCD3E5F19G23 (1)
Weight, g/mol:	482.165762
ΔH_f, kcal/mol:	-166.98
Dipole, Da:	3.98
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations