Geometry & MOs

Info

ID:	84501
PubChem CID:	49867005
Reduced:	SP2N7O15C23H37 (1)
Stoich.:	AB2C7D15E23F37 (1)
Weight, g/mol:	162.064057
ΔH_f, kcal/mol:	-718.21
Dipole, Da:	6.64
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=NCCCC[C@@H](C(=O)O)N)S[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O

DOS

IR

Vibrations