Geometry & MOs

Info

ID:

416974

PubChem CID:

135090939

Reduced:

SN3O5C13H19 (1)

Stoich.:

AB3C5D13E19 (1)

Weight, g/mol:

507.211784

ΔHf, kcal/mol:

-190.65

Dipole, Da:

2.98

IP(EA), eV:

 -9.57(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=CNC2=O

DOS

IR

Vibrations