Geometry & MOs

Info

ID:	420183
PubChem CID:	135111709
Reduced:	S2F3N3O3C18H22 (1)
Stoich.:	A2B3C3D3E18F22 (1)
Weight, g/mol:	384.165837
ΔH_f, kcal/mol:	-248.78
Dipole, Da:	2.82
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NNC(=C2)C(F)(F)F)S(=O)(=O)N3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations