Geometry & MOs

Info

ID:	297967
PubChem CID:	117636697
Reduced:	PN9O12C26H40 (1)
Stoich.:	AB9C12D26E40 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-488.29
Dipole, Da:	7.94
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-3-amino-5-methylsulfanylpentan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCO[C@@H]1[C@@H](O[C@@H](C1OP(=O)(O)OC[C@@H]2C([C@@H]([C@@H](O2)N3C=NC(=NC3=O)N)OCCCC)O)CO)N4C=NC5=C4NC(=NC5=O)N

DOS

IR

Vibrations