Geometry & MOs

Info

ID:

170475

PubChem CID:

75238421

Reduced:

SN5O5C18H19 (1)

Stoich.:

AB5C5D18E19 (1)

Weight, g/mol:

755.93009

ΔHf, kcal/mol:

-58.84

Dipole, Da:

6.55

IP(EA), eV:

 -9.06(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-bromo-4,10,18,24-tetrachloro-2,16-dioxapentacyclo[24.2.2.212,15.13,7.117,21]tetratriaconta-1(28),3,5,7(34),9,12(33),13,15(32),17,19,21(31),23,26,29-tetradecaene-6,14,20,28,29,32-hexol

Drug info:

PubChemData

Smile

COC1=CC(=O)C(=C2C(CNC(N2)NC(=S)N)C3=CC(=C(C=C3)O)[N+](=O)[O-])C=C1

DOS

IR

Vibrations