Geometry & MOs

Info

ID:	61114
PubChem CID:	26705806
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-130.56
Dipole, Da:	5.48
IP(EA), eV:	-8.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

DOS

IR

Vibrations