Geometry & MOs

Info

ID:

416874

PubChem CID:

135090628

Reduced:

NSO6C17H23 (1)

Stoich.:

ABC6D17E23 (1)

Weight, g/mol:

557.300205

ΔHf, kcal/mol:

-245.74

Dipole, Da:

2.86

IP(EA), eV:

 -9.73(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-12-(2,3-dimethylquinoxaline-6-carbonyl)-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations