Geometry & MOs

Info

ID:

414757

PubChem CID:

135087719

Reduced:

SN6O6C32H48 (1)

Stoich.:

AB6C6D32E48 (1)

Weight, g/mol:

411.22704

ΔHf, kcal/mol:

-258.6

Dipole, Da:

3.31

IP(EA), eV:

 -8.65(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-oxa-5,6,7,12,20-pentazatetracyclo[21.2.2.15,8.012,17]octacosa-1(26),6,8(28),23(27),24-pentaene-11,21-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)C(=O)C2CCC2)CC3=CC=CC=C3)C)CCSC)C(C)C

DOS

IR

Vibrations