Geometry & MOs

Info

ID:	348654
PubChem CID:	127273765
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	4.71
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations