Geometry & MOs

Info

ID:

315786

PubChem CID:

126628774

Reduced:

NO2C6H7 (2)

Stoich.:

AB2C6D7 (2)

Weight, g/mol:

551.274384

ΔHf, kcal/mol:

-142.25

Dipole, Da:

9.77

IP(EA), eV:

 -9.59(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,14S,20E)-2,11-dimethyl-14-propan-2-yl-3,18-dioxa-9,12,15,28,31-pentazatetracyclo[20.5.3.15,9.025,29]hentriaconta-1(28),20,22(30),23,25(29),26-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CN[C@@H](CC(=O)N)C(=O)O

DOS

IR

Vibrations