Geometry & MOs

Info

ID:

390765

PubChem CID:

135000819

Reduced:

NO6C14H17 (1)

Stoich.:

AB6C14D17 (1)

Weight, g/mol:

550.159614

ΔHf, kcal/mol:

-168.02

Dipole, Da:

4.37

IP(EA), eV:

 -9.54(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,8,8,13,13,20,20-octamethyl-24,26-dioxa-5,17-dithia-4,16-diazapentacyclo[19.2.1.13,6.19,12.115,18]heptacosa-1(23),3,6(27),9,11,15,18(25),21-octaene-7,14,19-trione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations