Geometry & MOs

Info

ID:	368750
PubChem CID:	127330001
Reduced:	SO2N4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	4.8
IP(EA), eV:	-8.26(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylsulfanylcyclohexyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)N2CCN(CC2)CC(=O)N3CCCCC3

DOS

IR

Vibrations