Geometry & MOs

Info

ID:	38676
PubChem CID:	8137411
Reduced:	ClN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-121.81
Dipole, Da:	2.08
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NCC(=O)NC2CC2)OC

DOS

IR

Vibrations