Geometry & MOs

Info

ID:	310399
PubChem CID:	126579792
Reduced:	FON3C12H14 (2)
Stoich.:	ABC3D12E14 (2)
Weight, g/mol:	358.079884
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	4.72
IP(EA), eV:	-7.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(C=C(C=C2)NC3=NC=C4C(=N3)N(C(CO4)C5CCC(CC5)(F)F)C)OC

DOS

IR

Vibrations