Geometry & MOs

Info

ID:	313765
PubChem CID:	126617486
Reduced:	ClO2F3N4C26H26 (1)
Stoich.:	AB2C3D4E26F26 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-192.15
Dipole, Da:	7.71
IP(EA), eV:	-9.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-[6-(6-hexoxypyridin-3-yl)-4-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C4(CCCC4)C(F)(F)F)Cl

DOS

IR

Vibrations