Geometry & MOs

Info

ID:	37528
PubChem CID:	8021870
Reduced:	OCl2S2N6H10C13 (1)
Stoich.:	AB2C2D6E10F13 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	84.77
Dipole, Da:	5.36
IP(EA), eV:	-9.23(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,3,4,6-tetramethylphenyl)ethanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations