Geometry & MOs

Info

ID:

422356

PubChem CID:

135117685

Reduced:

SO6N12C36H48 (1)

Stoich.:

AB6C12D36E48 (1)

Weight, g/mol:

579.285698

ΔHf, kcal/mol:

-136.94

Dipole, Da:

7.35

IP(EA), eV:

 -8.55(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)CCN5C(=NN=N5)C)C

DOS

IR

Vibrations