Geometry & MOs

Info

ID:

446556

PubChem CID:

135275972

Reduced:

OF2N3C17H21 (1)

Stoich.:

AB2C3D17E21 (1)

Weight, g/mol:

726.345107

ΔHf, kcal/mol:

-116.73

Dipole, Da:

3.46

IP(EA), eV:

 -8.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[7-cyclopentyl-6-(3-methylpentanoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-[5-(3-methyl-5-propoxypentan-2-yl)-7-oxothieno[3,2-b]pyran-3-yl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(C2=C1C(=CC=C2)NC(=O)/C(=C(\C(F)F)/N)/C=N)(C)C

DOS

IR

Vibrations