Geometry & MOs

Info

ID:	345506
PubChem CID:	127269806
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	6.1
IP(EA), eV:	-9.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations