Geometry & MOs

Info

ID:	73006
PubChem CID:	48416792
Reduced:	ClSO3N6C15H15 (1)
Stoich.:	ABC3D6E15F15 (1)
Weight, g/mol:	328.089558
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	4.37
IP(EA), eV:	-9.56(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations