Geometry & MOs

Info

ID:	80601
PubChem CID:	49835440
Reduced:	SN3O3F4C23H25 (1)
Stoich.:	AB3C3D4E23F25 (1)
Weight, g/mol:	419.206973
ΔH_f, kcal/mol:	-297.3
Dipole, Da:	7.23
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=NC=C2C(=C1)C=C(N2)C[C@@H](CC(C)(C)C3=C(C=C(C=C3)F)C(=O)N)C(F)(F)F

DOS

IR

Vibrations