Geometry & MOs

Info

ID:	49895
PubChem CID:	11534177
Reduced:	ClN3O4C32H34 (1)
Stoich.:	AB3C4D32E34 (1)
Weight, g/mol:	559.99404
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	5.21
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-1-N',6-N'-diacetyl-2,5-bis[(E)-3-bromoprop-2-enoxy]-3,4-dihydroxyhexanedihydrazide

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1C([C@@H](N(O1)CC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)Cl)C(=O)NCCC4=CNC5=CC=CC=C54)CO)O

DOS

IR

Vibrations