Geometry & MOs

Info

ID:	137372
PubChem CID:	52200414
Reduced:	FSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	375.114983
ΔH_f, kcal/mol:	-116.46
Dipole, Da:	7.3
IP(EA), eV:	-9.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

DOS

IR

Vibrations