Geometry & MOs

Info

ID:	167635
PubChem CID:	74850574
Reduced:	O2S2Cl3F3N4H8C16 (1)
Stoich.:	A2B2C3D3E4F8G16 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	1.48
IP(EA), eV:	-9.58(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyano-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)CSC2=NC(=O)C(N=N2)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations