Geometry & MOs

Info

ID:	363527
PubChem CID:	127311606
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	398.142405
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	4.06
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC4CCN(CC4)C(C)(C)C

DOS

IR

Vibrations