Geometry & MOs

Info

ID:	141473
PubChem CID:	52880563
Reduced:	NSO8H19C22 (1)
Stoich.:	ABC8D19E22 (1)
Weight, g/mol:	405.090703
ΔH_f, kcal/mol:	-248.72
Dipole, Da:	9.66
IP(EA), eV:	-9.29(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3

DOS

IR

Vibrations