Geometry & MOs

Info

ID:	37533
PubChem CID:	8021968
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	266.06376
ΔH_f, kcal/mol:	-1.2
Dipole, Da:	3.77
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=NN2C

DOS

IR

Vibrations