Geometry & MOs

Info

ID:	263555
PubChem CID:	103378066
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	315.082367
ΔH_f, kcal/mol:	-216.2
Dipole, Da:	7.01
IP(EA), eV:	-9.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)F)(C(=O)O)OCCCO

DOS

IR

Vibrations