Geometry & MOs

Info

ID:	345467
PubChem CID:	127269767
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	6.92
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCC2=CN3C=CSC3=N2

DOS

IR

Vibrations