Geometry & MOs

Info

ID:	70713
PubChem CID:	48413763
Reduced:	ClSO3N5C16H20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	331.125609
ΔH_f, kcal/mol:	-61.0
Dipole, Da:	6.15
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations