Geometry & MOs

Info

ID:	125925
PubChem CID:	50944100
Reduced:	ClF2N3O3C24H24 (1)
Stoich.:	AB2C3D3E24F24 (1)
Weight, g/mol:	447.142819
ΔH_f, kcal/mol:	-188.29
Dipole, Da:	3.73
IP(EA), eV:	-9.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2,4-difluorophenyl)methyl]-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC=C3)Cl)C(=O)NCC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations