Geometry & MOs

Info

ID:	71367
PubChem CID:	48414692
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	373.101561
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	5.72
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CC(=CC=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations