Geometry & MOs

Info

ID:	61016
PubChem CID:	26704331
Reduced:	ClSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	498.101621
ΔH_f, kcal/mol:	-144.32
Dipole, Da:	2.71
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations