Geometry & MOs

Info

ID:	61372
PubChem CID:	26708672
Reduced:	FN2O3S3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	464.985605
ΔH_f, kcal/mol:	-122.91
Dipole, Da:	5.74
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)C4SCCS4

DOS

IR

Vibrations