Geometry & MOs

Info

ID:	138460
PubChem CID:	52369782
Reduced:	F2O2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	325.160183
ΔH_f, kcal/mol:	-170.52
Dipole, Da:	3.48
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H](CC1=O)C(=O)NC2=CC(=C(C(=C2)F)N(C)C)F

DOS

IR

Vibrations