Geometry & MOs

Info

ID:	282762
PubChem CID:	103938151
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	251.05509
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	1.99
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-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)SCCO)N

DOS

IR

Vibrations