Geometry & MOs

Info

ID:	209852
PubChem CID:	80731312
Reduced:	S2N3O6C10H17 (1)
Stoich.:	A2B3C6D10E17 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-163.25
Dipole, Da:	9.07
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C=C(S1)S(=O)(=O)N(CCO)CCO)[N+](=O)[O-]

DOS

IR

Vibrations