Geometry & MOs

Info

ID:	356135
PubChem CID:	127291171
Reduced:	S2N3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	297.151098
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	4.83
IP(EA), eV:	-8.89(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations