Geometry & MOs

Info

ID:	325937
PubChem CID:	126685669
Reduced:	O6C21H28 (1)
Stoich.:	A6B21C28 (1)
Weight, g/mol:	521.204967
ΔH_f, kcal/mol:	-247.93
Dipole, Da:	2.99
IP(EA), eV:	-9.49(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2S,3R,4R)-2,4-dihydroxy-3-nitro-2-[(2R)-2-phenylbutyl]pentanedioate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C[C@H](CC(O1)(C(=O)OCCCC)O)C2=CC=CC=C2

DOS

IR

Vibrations