Geometry & MOs

Info

ID:	28708
PubChem CID:	829089
Reduced:	NF2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	344.04986
ΔH_f, kcal/mol:	-149.07
Dipole, Da:	6.3
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2C(C(=O)N2C3=CC=C(C=C3)OC)(F)F

DOS

IR

Vibrations