Geometry & MOs

Info

ID:	160996
PubChem CID:	57390470
Reduced:	Cl2F2O3N4H14C21 (1)
Stoich.:	A2B2C3D4E14F21 (1)
Weight, g/mol:	341.952035
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	5.39
IP(EA), eV:	-9.43(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6,7-dichloro-5-(thiophene-2-carbonyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)Cl)CC3=CN(N=N3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations