Geometry & MOs

Info

ID:	354687
PubChem CID:	127287386
Reduced:	SO2N5C18H31 (1)
Stoich.:	AB2C5D18E31 (1)
Weight, g/mol:	367.25834
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	3.07
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylamino)-2-oxoethyl]-N-(3-morpholin-4-ylbutan-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)C(=O)NC(C)C(C)N3CCOCC3

DOS

IR

Vibrations