Geometry & MOs

Info

ID:	31305
PubChem CID:	855551
Reduced:	OSN5C11H17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	-28.77
Dipole, Da:	5.03
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CSC2=NC(=CC(=N2)N)N

DOS

IR

Vibrations