Geometry & MOs

Info

ID:	244144
PubChem CID:	99319103
Reduced:	SN2O2F3H17C22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	429.186398
ΔH_f, kcal/mol:	-139.94
Dipole, Da:	2.56
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(S2)/C=C/C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)F

DOS

IR

Vibrations