Geometry & MOs

Info

ID:	62544
PubChem CID:	26719854
Reduced:	ClN2O5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	321.032334
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	6.67
IP(EA), eV:	-8.82(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)C)Cl)OC

DOS

IR

Vibrations