Geometry & MOs

Info

ID:	368878
PubChem CID:	127330848
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	351.209282
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	4.69
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCCC3=CSC(=N3)N4CCCC4

DOS

IR

Vibrations