Geometry & MOs

Info

ID:	197307
PubChem CID:	78951433
Reduced:	FOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	349.98369
ΔH_f, kcal/mol:	-96.25
Dipole, Da:	1.26
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-bromo-4-(7H-purin-6-ylsulfanyl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1SC(C)C)F)O

DOS

IR

Vibrations