Geometry & MOs

Info

ID:	363842
PubChem CID:	127313499
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	5.9
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations