Geometry & MOs

Info

ID:	36735
PubChem CID:	8012007
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	2.53
IP(EA), eV:	-8.53(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-ethylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NCC=C)NC(=O)C1=CC=CO1

DOS

IR

Vibrations