Geometry & MOs

Info

ID:	16957
PubChem CID:	481069
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-136.57
Dipole, Da:	7.24
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl 6-(benzylamino)hexanoate

Drug info:

PubChemData

Smile

C1[C@@H](O[C@@H](S1)COC(=O)CCCCCNCC2=CC=CC=C2)N3C=CC(=NC3=O)N

DOS

IR

Vibrations