Geometry & MOs

Info

ID:	58167
PubChem CID:	24424513
Reduced:	OSN3C19H31 (1)
Stoich.:	ABC3D19E31 (1)
Weight, g/mol:	440.227969
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	6.0
IP(EA), eV:	-8.21(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2-methyl-2-piperidin-1-ylpropyl)thiourea

Drug info:

PubChemData

Smile

CC(C)(CNC(=S)NCCC1=CC=C(C=C1)OC)N2CCCCC2

DOS

IR

Vibrations