Geometry & MOs

Info

ID:	139341
PubChem CID:	52513698
Reduced:	SF2N2O2C19H20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	378.121355
ΔH_f, kcal/mol:	-129.53
Dipole, Da:	4.65
IP(EA), eV:	-8.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)CCC(=O)C2=CC=CS2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations