Geometry & MOs

Info

ID:

442444

PubChem CID:

135252135

Reduced:

NO2H9C13 (2)

Stoich.:

AB2C9D13 (2)

Weight, g/mol:

453.085721

ΔHf, kcal/mol:

-3.12

Dipole, Da:

4.5

IP(EA), eV:

 -8.73(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene

Drug info:

PubChemData

Smile

C1C2=CC3=C(C=C2)OC4=C3C=C(COCC5=NC6=C(C=C5)OC7=C6N=C(CO1)C=C7)C=C4

DOS

IR

Vibrations