Geometry & MOs

Info

ID:

423036

PubChem CID:

135118820

Reduced:

O5N6C28H40 (1)

Stoich.:

A5B6C28D40 (1)

Weight, g/mol:

720.330519

ΔHf, kcal/mol:

-188.79

Dipole, Da:

5.69

IP(EA), eV:

 -8.94(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations