Geometry & MOs

Info

ID:

322994

PubChem CID:

126671692

Reduced:

ClN7O10C59H68 (1)

Stoich.:

AB7C10D59E68 (1)

Weight, g/mol:

1015.408452

ΔHf, kcal/mol:

-271.36

Dipole, Da:

8.63

IP(EA), eV:

 -8.56(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[2-[2-[2-[4-[(9S)-9-(2-anilino-2-oxoethyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C2=CC=C(C=C2)CNC(=O)C3CCCN3C(=O)C(C(C)(C)C)NC(=O)COCCCOCCCOC4=CC=C(C=C4)C5(CC5)OC(=O)CC6C7=NN=C(N7C8=C(C(=C(O8)C)C)C(=N6)C9=CC=C(C=C9)Cl)C

DOS

IR

Vibrations