Geometry & MOs

Info

ID:	71260
PubChem CID:	48414532
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	5.82
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations