Geometry & MOs

Info

ID:

308104

PubChem CID:

125316946

Reduced:

FSN3O5C21H30 (1)

Stoich.:

ABC3D5E21F30 (1)

Weight, g/mol:

578.289306

ΔHf, kcal/mol:

-271.62

Dipole, Da:

2.21

IP(EA), eV:

 -8.7(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,8S)-6-(1-benzylpiperidin-4-yl)-2-(4-ethoxy-3-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@H](CC1=CC=C(C=C1)F)C(=O)O)NC(=O)[C@H](CCSC)NC=O

DOS

IR

Vibrations