Geometry & MOs

Info

ID:

448946

PubChem CID:

135294653

Reduced:

O2N7C37H69 (1)

Stoich.:

A2B7C37D69 (1)

Weight, g/mol:

629.14338

ΔHf, kcal/mol:

-89.23

Dipole, Da:

2.35

IP(EA), eV:

 -8.59(0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-N-[(1R)-1-iodoethyl]-N-[5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,3,7,7a-tetrahydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCC)ON1C(CC(CC1(C)C)N(C)C2=NC(=NC(=N2)N(C)C3CC(N(C(C3)(C)C)OC4CCCCC4)(C)C)C)(C)C

DOS

IR

Vibrations