Geometry & MOs

Info

ID:	368982
PubChem CID:	127331086
Reduced:	SN3O4C15H29 (1)
Stoich.:	AB3C4D15E29 (1)
Weight, g/mol:	327.136511
ΔH_f, kcal/mol:	-212.88
Dipole, Da:	2.12
IP(EA), eV:	-9.4(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(1-methylsulfonylpiperidin-3-yl)-1-(pyrazin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NCC2(CCCCCC2)O

DOS

IR

Vibrations