Geometry & MOs

Info

ID:	15702
PubChem CID:	447580
Reduced:	SO4N6C14H20 (1)
Stoich.:	AB4C6D14E20 (1)
Weight, g/mol:	368.126674
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	6.08
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanal

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C=O)N)O)O)N

DOS

IR

Vibrations