Geometry & MOs

Info

ID:	137905
PubChem CID:	52281840
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	334.180504
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	5.78
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-methylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations