Geometry & MOs

Info

ID:	169623
PubChem CID:	75127400
Reduced:	N2S2O5H20C23 (1)
Stoich.:	A2B2C5D20E23 (1)
Weight, g/mol:	480.220655
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	3.86
IP(EA), eV:	-8.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations