Geometry & MOs

Info

ID:

447881

PubChem CID:

135286534

Reduced:

FO2N7H26C30 (1)

Stoich.:

AB2C7D26E30 (1)

Weight, g/mol:

497.143009

ΔHf, kcal/mol:

45.98

Dipole, Da:

4.43

IP(EA), eV:

 -8.58(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R)-1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)O)N=C2

DOS

IR

Vibrations