Geometry & MOs

Info

ID:

417824

PubChem CID:

135102834

Reduced:

NOC8H9 (3)

Stoich.:

ABC8D9 (3)

Weight, g/mol:

736.415963

ΔHf, kcal/mol:

-49.11

Dipole, Da:

4.25

IP(EA), eV:

 -9.51(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[(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]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)CC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations