Geometry & MOs

Info

ID:

404789

PubChem CID:

135070922

Reduced:

SN3O3C24H29 (1)

Stoich.:

AB3C3D24E29 (1)

Weight, g/mol:

511.341007

ΔHf, kcal/mol:

-43.33

Dipole, Da:

2.89

IP(EA), eV:

 -8.58(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1R,2S,5R,6S)-8-benzyl-2-hexyl-7-morpholin-4-yl-3-propan-2-yl-10-oxa-3,9-diazatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]([C@H]1C=C[C@H]2[C@@H](N1N(C)C3=CC=CC=C3)C(=O)N(S2=O)C(C)C4=CC=CC=C4)O

DOS

IR

Vibrations