Geometry & MOs

Info

ID:

419095

PubChem CID:

135107465

Reduced:

NO3C19H29 (1)

Stoich.:

AB3C19D29 (1)

Weight, g/mol:

550.188606

ΔHf, kcal/mol:

-124.19

Dipole, Da:

1.34

IP(EA), eV:

 -8.54(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-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

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC=CC=C3OCCO

DOS

IR

Vibrations