Geometry & MOs

Info

ID:	31398
PubChem CID:	855667
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	343.090309
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	5.68
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=C(C(=CC2=C1)C)C)SCC(=O)N3CCOCC3

DOS

IR

Vibrations