Geometry & MOs

Info

ID:	282758
PubChem CID:	103938082
Reduced:	SN5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	245.098669
ΔH_f, kcal/mol:	77.18
Dipole, Da:	4.26
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-pyridin-2-ylsulfanylpyridin-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)SC2=NC=NN2)N

DOS

IR

Vibrations