Geometry & MOs

Info

ID:	158733
PubChem CID:	56468186
Reduced:	FO2N7H18C20 (1)
Stoich.:	AB2C7D18E20 (1)
Weight, g/mol:	429.090703
ΔH_f, kcal/mol:	41.26
Dipole, Da:	15.39
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-(methylsulfonylmethyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C=CC(=N2)C(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C

DOS

IR

Vibrations