Geometry & MOs

Info

ID:	169686
PubChem CID:	75136095
Reduced:	SF2O2N6H16C19 (1)
Stoich.:	AB2C2D6E16F19 (1)
Weight, g/mol:	424.228597
ΔH_f, kcal/mol:	-51.81
Dipole, Da:	9.19
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-2,2-difluoro-N-(3-methylbutyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(N1)C(CN2)C#N)CC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations