Geometry & MOs

Info

ID:	245197
PubChem CID:	99437860
Reduced:	OSN3C8H11 (2)
Stoich.:	ABC3D8E11 (2)
Weight, g/mol:	399.082367
ΔH_f, kcal/mol:	7.41
Dipole, Da:	9.11
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-phenacylsulfanylacetamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H](CCSC)C(=O)NC1=CC(=CC=C1)N2C(=NN=N2)SC

DOS

IR

Vibrations