Geometry & MOs

Info

ID:

443536

PubChem CID:

135259277

Reduced:

SO3F5N5H18C21 (1)

Stoich.:

AB3C5D5E18F21 (1)

Weight, g/mol:

608.350861

ΔHf, kcal/mol:

-314.71

Dipole, Da:

4.11

IP(EA), eV:

 -9.11(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-N-(1-butan-2-ylcyclohexyl)-5-[[6-[4-(dimethylamino)piperidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-2,3-dimethyl-6-oxohepta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=CSC5=NC=N4)CCC(CC3)(C(C(F)(F)F)(F)F)O

DOS

IR

Vibrations