Geometry & MOs

Info

ID:	61051
PubChem CID:	26704788
Reduced:	ClSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	335.047984
ΔH_f, kcal/mol:	-166.48
Dipole, Da:	6.65
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-(2-chloro-4,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations