Geometry & MOs

Info

ID:	316191
PubChem CID:	126630337
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	412.152889
ΔH_f, kcal/mol:	0.89
Dipole, Da:	4.99
IP(EA), eV:	-8.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(5,7-diamino-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=C(C=C3)CC)N

DOS

IR

Vibrations