Geometry & MOs

Info

ID:	62472
PubChem CID:	26719767
Reduced:	FSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	447.228183
ΔH_f, kcal/mol:	-81.21
Dipole, Da:	8.91
IP(EA), eV:	-8.97(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-fluorophenyl)-N'-(2-methylpropyl)butanediamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations