Geometry & MOs

Info

ID:	358313
PubChem CID:	127295858
Reduced:	SO3N5C17H27 (1)
Stoich.:	AB3C5D17E27 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	7.16
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)N2CCN(CC2)C(=O)CN3CCOCC3

DOS

IR

Vibrations