Geometry & MOs

Info

ID:	282763
PubChem CID:	103938164
Reduced:	S2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	251.05509
ΔH_f, kcal/mol:	66.68
Dipole, Da:	0.85
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(1,3-thiazol-2-ylsulfanyl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=NC=CS2)N

DOS

IR

Vibrations