Geometry & MOs

Info

ID:	195082
PubChem CID:	78632185
Reduced:	ClN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	3.39
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(dimethylamino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3Cl

DOS

IR

Vibrations