Geometry & MOs

Info

ID:	263192
PubChem CID:	103344811
Reduced:	OS2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	390.04352
ΔH_f, kcal/mol:	-59.89
Dipole, Da:	2.23
IP(EA), eV:	-8.53(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-diethylpyrazol-3-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(=O)CC2CCC2)C

DOS

IR

Vibrations