Geometry & MOs

Info

ID:

382841

PubChem CID:

134974222

Reduced:

N2O5C18H24 (1)

Stoich.:

A2B5C18D24 (1)

Weight, g/mol:

708.211467

ΔHf, kcal/mol:

-219.42

Dipole, Da:

4.45

IP(EA), eV:

 -9.84(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(20S,23S)-20-butan-2-yl-26-methylidene-16-phenyl-23-propan-2-yl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione

Drug info:

PubChemData

Smile

C[C@@H]([C@@]1(C(=O)OC(=O)N1CC2=CC=CC=C2)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations