Geometry & MOs

Info

ID:	61229
PubChem CID:	26707231
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	5.18
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations