Geometry & MOs

Info

ID:	31173
PubChem CID:	854982
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	330.03421
ΔH_f, kcal/mol:	26.65
Dipole, Da:	3.03
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N)SCC(=O)N(C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations