Geometry & MOs

Info

ID:	45099
PubChem CID:	10508027
Reduced:	O10H34C35 (1)
Stoich.:	A10B34C35 (1)
Weight, g/mol:	614.239001
ΔH_f, kcal/mol:	-241.18
Dipole, Da:	1.96
IP(EA), eV:	-8.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5Z,6E)-5,6-bis[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](CC3=C(C=C4C(=C3O2)C5[C@H]([C@](O4)(OC6=C5C(=CC(=C6)OC)OC)C7=CC=C(C=C7)OC)O)OC)O

DOS

IR

Vibrations