Geometry & MOs

Info

ID:	141475
PubChem CID:	52880625
Reduced:	FS2O4N6C18H20 (1)
Stoich.:	AB2C4D6E18F20 (1)
Weight, g/mol:	468.104974
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	8.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001307
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1[N-]S(=O)(=O)C)C)S(=O)(=O)NC2=C(C=CC(=C2)N3C(=NN=N3)C)F)C

DOS

IR

Vibrations