Geometry & MOs

Info

ID:

317587

PubChem CID:

126644214

Reduced:

ClF3O3N4H12C18 (1)

Stoich.:

AB3C3D4E12F18 (1)

Weight, g/mol:

1029.343265

ΔHf, kcal/mol:

-180.08

Dipole, Da:

3.28

IP(EA), eV:

 -8.98(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[6-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]-1-benzofuran-2-yl]-formylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=NC(=N2)/C=C/C3=CC(=C(C=C3)NC(=O)O)Cl)OC(F)(F)F

DOS

IR

Vibrations