Geometry & MOs

Info

ID:	138089
PubChem CID:	52311773
Reduced:	F2N2O4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-240.97
Dipole, Da:	9.78
IP(EA), eV:	-9.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C(=CC=C2)OC)OC(F)F

DOS

IR

Vibrations