Geometry & MOs

Info

ID:	142661
PubChem CID:	53072295
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-38.43
Dipole, Da:	4.68
IP(EA), eV:	-9.29(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-ethoxyphenyl)-4,6-dioxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-yl]-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCCC1C2=NN=C(S2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations