Geometry & MOs

Info

ID:	36736
PubChem CID:	8012008
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	417.121237
ΔH_f, kcal/mol:	-153.27
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations