Geometry & MOs

Info

ID:	55507
PubChem CID:	17395480
Reduced:	SN6H14C15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	359.03108
ΔH_f, kcal/mol:	129.13
Dipole, Da:	4.16
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SCC3=CN4C=CC=CC4=N3)C

DOS

IR

Vibrations