Geometry & MOs

Info

ID:

322960

PubChem CID:

126671648

Reduced:

OF3N3C25H32 (1)

Stoich.:

AB3C3D25E32 (1)

Weight, g/mol:

1102.504316

ΔHf, kcal/mol:

-160.14

Dipole, Da:

4.51

IP(EA), eV:

 -8.38(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-[[2-[3-[2-[3-[4-[[2-[7-(4-chlorophenyl)-4,5,13-trimethyl-1,3,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]propoxymethoxy]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=C(C=C(C=C2)C3=CC=C(C=C3)CO[C@@H]4CCN(C4)C)C(F)(F)F

DOS

IR

Vibrations