Geometry & MOs

Info

ID:	310363
PubChem CID:	126579255
Reduced:	OCl2F3N4C25H29 (1)
Stoich.:	AB2C3D4E25F29 (1)
Weight, g/mol:	320.069159
ΔH_f, kcal/mol:	-191.33
Dipole, Da:	3.53
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylsulfanylphenyl]-2H-tetrazol-5-one

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)[C@H]4CCCCN4)C(F)(F)F

DOS

IR

Vibrations