Geometry & MOs

Info

ID:	62545
PubChem CID:	26719855
Reduced:	NCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	321.032334
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl)Cl

DOS

IR

Vibrations