Geometry & MOs

Info

ID:	43114
PubChem CID:	10318653
Reduced:	BClNOF4H17C19 (1)
Stoich.:	ABCDE4F17G19 (1)
Weight, g/mol:	397.077552
ΔH_f, kcal/mol:	-287.33
Dipole, Da:	12.24
IP(EA), eV:	-9.72(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[[(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxymethyl]purin-2-amine

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1=CC=C(C=C1)C2=CC(=[N+](O2)C)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations