Geometry & MOs

Info

ID:	186432
PubChem CID:	77432101
Reduced:	OF2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	441.197631
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	4.04
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[4-fluoro-2-(3-fluoropyridin-2-yl)-2-methylpentyl]amino]pyrimidin-5-yl]-2-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)C2=CN=C(N=C2)NCC3(CC(C3)F)C4=C(C=CC=N4)F

DOS

IR

Vibrations