Geometry & MOs

Info

ID:	308028
PubChem CID:	125311878
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	332.04225
ΔH_f, kcal/mol:	-180.93
Dipole, Da:	5.41
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[chloro(difluoro)methyl]-6-[5-(2-methylpropyl)-4H-pyrazol-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@@H]([C@H](C/C=C/CCC(=O)OC)O)O)O

DOS

IR

Vibrations