Geometry & MOs

Info

ID:	140770
PubChem CID:	52757243
Reduced:	Cl2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	4.5
IP(EA), eV:	-9.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-cyanophenyl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations