Geometry & MOs

Info

ID:

378469

PubChem CID:

134224551

Reduced:

FN3O3C39H44 (1)

Stoich.:

AB3C3D39E44 (1)

Weight, g/mol:

469.095094

ΔHf, kcal/mol:

-126.34

Dipole, Da:

8.21

IP(EA), eV:

 -8.45(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-4-[(1S)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexyl]oxy-2-fluorophenyl]sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)NC(C)C56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations