Geometry & MOs

Info

ID:	358311
PubChem CID:	127295856
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	1.71
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations