Geometry & MOs

Info

ID:	364924
PubChem CID:	127316570
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	3.78
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[1-(4-cyclobutylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C4CCC4)C

DOS

IR

Vibrations