Geometry & MOs

Info

ID:

379748

PubChem CID:

134463958

Reduced:

ClSN4O5C39H45 (1)

Stoich.:

ABC4D5E39F45 (1)

Weight, g/mol:

708.195538

ΔHf, kcal/mol:

-160.91

Dipole, Da:

3.53

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[7-(4-chlorophenyl)-2-[3-[4-(1,1-dioxothietan-3-yl)piperazin-1-yl]-1-methylpyrazolo[4,3-b]pyridin-5-yl]-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=C(C2=C(C=C1C)N=C(S2)C3=CC4=C(C=C3)N(N=C4[C@H]5CCN(C5)C(=O)OC(C)(C)C)C)C6=CC=C(C=C6)Cl)OC(C)(C)C

DOS

IR

Vibrations