Geometry & MOs

Info

ID:	367506
PubChem CID:	127324838
Reduced:	SN4O4C15H22 (1)
Stoich.:	AB4C4D15E22 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-144.74
Dipole, Da:	7.2
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(1-ethylpyrazol-4-yl)urea

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)NC2=CN=C(C=C2)N3CCOCC3

DOS

IR

Vibrations