Geometry & MOs

Info

ID:	360113
PubChem CID:	127300498
Reduced:	SO3N4C14H28 (1)
Stoich.:	AB3C4D14E28 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	7.7
IP(EA), eV:	-8.77(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)NCCS(=O)(=O)NCC2CCC2

DOS

IR

Vibrations