Geometry & MOs

Info

ID:	162761
PubChem CID:	57566893
Reduced:	ClO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	493.130757
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	5.06
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R)-4-[4-cyano-3-(2,6-dimethoxyphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1[C@@H](CN(C1=O)C2=CC=CC(=C2)C(=O)N)C3=CC(=C(C=C3)Cl)OC4=CN=CN=C4

DOS

IR

Vibrations