Geometry & MOs

Info

ID:

186573

PubChem CID:

77446255

Reduced:

ClSO3N4H25C31 (1)

Stoich.:

ABC3D4E25F31 (1)

Weight, g/mol:

660.18003

ΔHf, kcal/mol:

-15.54

Dipole, Da:

8.72

IP(EA), eV:

 -8.34(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-cyclopropyl-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,4,6-trifluorophenyl)methylamino]pyrimidin-4-yl]amino]-5-(methylsulfonylmethyl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC3=C2C(CN3C(=O)C4=NC(=CS4)C5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)N)CCl)O

DOS

IR

Vibrations