Geometry & MOs

Info

ID:

443505

PubChem CID:

135259219

Reduced:

O3F5N6H19C21 (1)

Stoich.:

A3B5C6D19E21 (1)

Weight, g/mol:

504.237054

ΔHf, kcal/mol:

-321.32

Dipole, Da:

4.45

IP(EA), eV:

 -8.77(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-N-(1-butan-2-yl-4,4-difluorocyclohexyl)-2,3-dimethyl-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-6-oxohepta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4C=CN5)CCC(CC3)(C(C(F)(F)F)(F)F)O

DOS

IR

Vibrations