Geometry & MOs

Info

ID:	231613
PubChem CID:	87574307
Reduced:	Cl2O5N10C61H66 (1)
Stoich.:	A2B5C10D61E66 (1)
Weight, g/mol:	382.160036
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	12.65
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

Smile

C[C@@H]([C@H]1CCN(C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)OC5=NC=C(C=C5)C#N.C[C@@H]([C@H]1CCN(C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)C4(CC4)C)OC5=NC=C(C=C5)C#N

DOS

IR

Vibrations