Geometry & MOs

Info

ID:	61087
PubChem CID:	26705454
Reduced:	ClSO2N5H14C19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	343.097521
ΔH_f, kcal/mol:	65.15
Dipole, Da:	2.31
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-5-methylphenyl) 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations