Geometry & MOs

Info

ID:	79664
PubChem CID:	49829903
Reduced:	SN2O2C24H36 (1)
Stoich.:	AB2C2D24E36 (1)
Weight, g/mol:	401.103
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	2.76
IP(EA), eV:	-8.14(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@@]12CCC(CC1=CCC3C2CC[C@]4(C3CC[C@]4(CSC5=NC=CN5C)O)C)O

DOS

IR

Vibrations