Geometry & MOs

Info

ID:	351919
PubChem CID:	127282837
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	9.81
IP(EA), eV:	-8.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N(C)CC1=NC(=O)C2=C(N1)C=CS2)N3CCCCC3

DOS

IR

Vibrations