Geometry & MOs

Info

ID:	188108
PubChem CID:	77668185
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	579.10387
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	6.65
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanylethyl 2-[4-(3-bromo-4-methoxyphenoxy)-3,5-dimethylphenyl]-3,5-dioxo-1,2,4-triazinane-6-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC3C2NNC3C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations