Geometry & MOs

Info

ID:	282761
PubChem CID:	103938145
Reduced:	SF2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	1.29
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(1S)-1-aminopropyl]pyridin-3-yl]sulfanylethanol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=C(C=CC(=C2)F)F)N

DOS

IR

Vibrations