Geometry & MOs

Info

ID:	263257
PubChem CID:	103349773
Reduced:	S2O3N4C12H18 (1)
Stoich.:	A2B3C4D12E18 (1)
Weight, g/mol:	305.086784
ΔH_f, kcal/mol:	-90.18
Dipole, Da:	6.59
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropylsulfonyl-5-N-(2-ethoxypropyl)-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C2=C(C(=NS2)N)S(=O)(=O)C3CC3

DOS

IR

Vibrations