Geometry & MOs

Info

ID:	37327
PubChem CID:	8019813
Reduced:	O6H22C23 (1)
Stoich.:	A6B22C23 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	3.25
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations