Geometry & MOs

Info

ID:	263403
PubChem CID:	103363698
Reduced:	O2S2N5C11H15 (1)
Stoich.:	A2B2C5D11E15 (1)
Weight, g/mol:	255.140533
ΔH_f, kcal/mol:	-19.05
Dipole, Da:	2.96
IP(EA), eV:	-8.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-ethylamino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(SN=C1N)NCC2=CC=CC=N2

DOS

IR

Vibrations