Geometry & MOs

Info

ID:

215032

PubChem CID:

85084030

Reduced:

NO4H43C46 (1)

Stoich.:

AB4C43D46 (1)

Weight, g/mol:

673.430216

ΔHf, kcal/mol:

42.2

Dipole, Da:

1.68

IP(EA), eV:

 -8.56(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5'-acetyl-7'-methoxy-12'-nonadecyl-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

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4CC4C=CCOC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

DOS

IR

Vibrations