Geometry & MOs

Info

ID:	322072
PubChem CID:	126668501
Reduced:	SF3N3O5H22C24 (1)
Stoich.:	AB3C3D5E22F24 (1)
Weight, g/mol:	496.072052
ΔH_f, kcal/mol:	-274.84
Dipole, Da:	8.95
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(2H-tetrazol-5-yl)furan-3-yl]oxymethyl]pyridine

Drug info:

PubChemData

Smile

C1COC[C@H]1OC2=C(C=CC(=C2)C(F)(F)F)[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=CC=N5

DOS

IR

Vibrations