Geometry & MOs

Info

ID:	31321
PubChem CID:	855572
Reduced:	FSO2N5C13H14 (1)
Stoich.:	ABC2D5E13F14 (1)
Weight, g/mol:	336.105625
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	5.27
IP(EA), eV:	-9.37(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CSC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations