Geometry & MOs

Info

ID:

230725

PubChem CID:

87571753

Reduced:

Cl3O4S4N6F7H40C44 (1)

Stoich.:

A3B4C4D6E7F40G44 (1)

Weight, g/mol:

508.304956

ΔHf, kcal/mol:

-393.33

Dipole, Da:

7.41

IP(EA), eV:

 -8.6(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-N-[(1S,2R)-2-prop-2-ynoxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl)C.C1CN(CCN1C2=NC(=CS2)CC3=CC(=C(C=C3)F)Cl)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations