Geometry & MOs

Info

ID:	139286
PubChem CID:	52503475
Reduced:	SF2O2N5H15C16 (1)
Stoich.:	AB2C2D5E15F16 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	4.81
IP(EA), eV:	-8.71(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC3=NN=C(S3)C(F)F

DOS

IR

Vibrations