Geometry & MOs

Info

ID:

43776

PubChem CID:

10321778

Reduced:

NO6H21C27 (1)

Stoich.:

AB6C21D27 (1)

Weight, g/mol:

455.16925

ΔHf, kcal/mol:

-116.62

Dipole, Da:

4.4

IP(EA), eV:

 -8.96(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4'S,6'S,7'R,8'R)-12'-benzyl-7'-hydroxy-5'-methyl-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate

Drug info:

PubChemData

Smile

CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OCC5=CC=CC=C5)O)C=O

DOS

IR

Vibrations