Geometry & MOs

Info

ID:	166213
PubChem CID:	74650743
Reduced:	FS2O3N4H19C23 (1)
Stoich.:	AB2C3D4E19F23 (1)
Weight, g/mol:	458.21001
ΔH_f, kcal/mol:	-78.05
Dipole, Da:	6.05
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propyl-1,3-diazinan-5-yl)-N-butyl-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1SCC(=O)NCCN3C(=O)C(=CC4=CC=CC=C4F)SC3=O

DOS

IR

Vibrations