Geometry & MOs

Info

ID:	162763
PubChem CID:	57566904
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	535.058039
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	5.64
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R)-4-[4-chloro-3-[2-cyano-6-(trifluoromethyl)phenoxy]phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)C#N)OC4CCCC4

DOS

IR

Vibrations