Geometry & MOs

Info

ID:

423359

PubChem CID:

135119360

Reduced:

SN5O5C20H31 (1)

Stoich.:

AB5C5D20E31 (1)

Weight, g/mol:

505.243753

ΔHf, kcal/mol:

-204.49

Dipole, Da:

9.83

IP(EA), eV:

 -9.57(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-(pyridine-3-carbonyl)-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)S(=O)(=O)C2=CN=CC=C2)C(C)C

DOS

IR

Vibrations