Geometry & MOs

Info

ID:	217597
PubChem CID:	85088081
Reduced:	SC26H36 (1)
Stoich.:	AB26C36 (1)
Weight, g/mol:	380.030581
ΔH_f, kcal/mol:	2.03
Dipole, Da:	2.12
IP(EA), eV:	-8.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino [5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanesulfonate

Drug info:

PubChemData

Smile

CC1(CCC2C(=CCC3C2(CCCC3(C)CSC4=CC=CC=C4)C)C1)C=C

DOS

IR

Vibrations