Geometry & MOs

Info

ID:	54053
PubChem CID:	14719814
Reduced:	BrNSCl2O4H6C13 (1)
Stoich.:	ABCD2E4F6G13 (1)
Weight, g/mol:	340.001762
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	2.46
IP(EA), eV:	-10.0(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC2=C(C(=C(C=C21)C(=O)C3=CN=C(S3)Br)Cl)Cl)C(=O)O

DOS

IR

Vibrations