Geometry & MOs

Info

ID:

448936

PubChem CID:

135294578

Reduced:

OSF3N7H20C21 (1)

Stoich.:

ABC3D7E20F21 (1)

Weight, g/mol:

502.226329

ΔHf, kcal/mol:

-66.75

Dipole, Da:

4.4

IP(EA), eV:

 -8.27(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-N-[1-methyl-7-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2)N/C(=C/N)/C=NC)CNC(=O)C3=CN=C(S3)C(F)(F)F

DOS

IR

Vibrations