Geometry & MOs

Info

ID:	350441
PubChem CID:	127277803
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	1.79
IP(EA), eV:	-9.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCCC(C2)C(=O)N3CCOCC3

DOS

IR

Vibrations