Geometry & MOs

Info

ID:	187186
PubChem CID:	77541096
Reduced:	ON6C28H36 (1)
Stoich.:	AB6C28D36 (1)
Weight, g/mol:	422.12019
ΔH_f, kcal/mol:	14.71
Dipole, Da:	6.76
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-[(2,4-difluorophenyl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazinan-2-yl]-2-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=NC2=C(C=C(C=C2)C)C(=N1)NC3CCCCC3N=C(C)NC4=CC=CC=C4

DOS

IR

Vibrations