Geometry & MOs

Info

ID:	137017
PubChem CID:	52138467
Reduced:	SO3N6C20H30 (1)
Stoich.:	AB3C6D20E30 (1)
Weight, g/mol:	268.172168
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	6.25
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-tert-butyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC2=NC(=NC=C2C(=O)OCC)N3CCOCC3)C(C)C

DOS

IR

Vibrations