Geometry & MOs

Info

ID:	206859
PubChem CID:	80311900
Reduced:	S2N5C9H13 (1)
Stoich.:	A2B5C9D13 (1)
Weight, g/mol:	244.106791
ΔH_f, kcal/mol:	80.05
Dipole, Da:	4.65
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]propan-2-amine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC=CS2)CN

DOS

IR

Vibrations