Geometry & MOs

Info

ID:	61005
PubChem CID:	26704137
Reduced:	ClFSN2O2H12C18 (1)
Stoich.:	ABCD2E2F12G18 (1)
Weight, g/mol:	398.049191
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	4.96
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=C(C=C2)Cl)F)C3=CC=CC=C3

DOS

IR

Vibrations