Geometry & MOs

Info

ID:	263592
PubChem CID:	103380313
Reduced:	OSN4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	305.123169
ΔH_f, kcal/mol:	7.55
Dipole, Da:	4.21
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-ethyl-5-N-(2-ethylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CCCN(CCO)C1=C(C(=NS1)N)C#N

DOS

IR

Vibrations