Geometry & MOs

Info

ID:	350471
PubChem CID:	127277833
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-102.25
Dipole, Da:	3.52
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2CCN3C2CCCC3

DOS

IR

Vibrations