Geometry & MOs

Info

ID:	310380
PubChem CID:	126579463
Reduced:	SF2N3O4H9C11 (1)
Stoich.:	AB2C3D4E9F11 (1)
Weight, g/mol:	315.048919
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	4.04
IP(EA), eV:	-9.32(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)SC(F)F)COC2=NN(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations