Geometry & MOs

Info

ID:	71519
PubChem CID:	48414987
Reduced:	OSN4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	385.128255
ΔH_f, kcal/mol:	87.76
Dipole, Da:	2.12
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations