Geometry & MOs

Info

ID:	156151
PubChem CID:	56369332
Reduced:	ClOSN4C19H25 (1)
Stoich.:	ABCD4E19F25 (1)
Weight, g/mol:	482.165762
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	6.5
IP(EA), eV:	-8.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations