Geometry & MOs

Info

ID:	360008
PubChem CID:	127300154
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-(2-cyclopentyloxyethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)NCCS(=O)(=O)NCC3CCC3)C

DOS

IR

Vibrations