Geometry & MOs

Info

ID:	151053
PubChem CID:	53790750
Reduced:	NO5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	377.99374
ΔH_f, kcal/mol:	-186.45
Dipole, Da:	1.24
IP(EA), eV:	-8.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(iodomethyl)oxolan-2-yl]-diazonioazanide

Drug info:

PubChemData

Smile

CCCC(CCOCCC(=O)O)C1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32

DOS

IR

Vibrations