Geometry & MOs

Info

ID:	297561
PubChem CID:	117621865
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	605.97561
ΔH_f, kcal/mol:	-146.19
Dipole, Da:	3.94
IP(EA), eV:	-10.57(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-N-(1,1-dihydroxy-1,4-thiazinan-4-yl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1C2C(O2)C3C(C1(CCCC)C(=O)O)O3

DOS

IR

Vibrations