Geometry & MOs

Info

ID:	282794
PubChem CID:	103939401
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	55.74
Dipole, Da:	5.42
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(1R)-1-hydroxypropyl]pyridin-3-yl]sulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)SC2=NC=NC3=C2NC=N3)O

DOS

IR

Vibrations