Geometry & MOs

Info

ID:	156289
PubChem CID:	56369981
Reduced:	BrSO2N3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	490.066688
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	2.67
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)N2CCOC(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations