Geometry & MOs

Info

ID:	361848
PubChem CID:	127304819
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	18.92
Dipole, Da:	5.5
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)C(=O)N2CCN(CC2)CC3=CN=C(S3)C

DOS

IR

Vibrations