Geometry & MOs

Info

ID:	11940
PubChem CID:	124126
Reduced:	SN5O5C15H21 (1)
Stoich.:	AB5C5D15E21 (1)
Weight, g/mol:	383.12634
ΔH_f, kcal/mol:	-170.34
Dipole, Da:	4.28
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

DOS

IR

Vibrations