Geometry & MOs

Info

ID:

323026

PubChem CID:

126671816

Reduced:

OSN3C16H25 (1)

Stoich.:

ABC3D16E25 (1)

Weight, g/mol:

1063.38513

ΔHf, kcal/mol:

-15.65

Dipole, Da:

4.77

IP(EA), eV:

 -8.37(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CN1C(C)(C)C)OCC2=C(SC=N2)C(C)(C)C

DOS

IR

Vibrations