Geometry & MOs

Info

ID:

378301

PubChem CID:

134224377

Reduced:

F3O3N7C26H26 (1)

Stoich.:

A3B3C7D26E26 (1)

Weight, g/mol:

498.162723

ΔHf, kcal/mol:

-186.64

Dipole, Da:

7.99

IP(EA), eV:

 -8.65(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-oxo-2-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4

DOS

IR

Vibrations