Geometry & MOs

Info

ID:	22025
PubChem CID:	595414
Reduced:	SN2F3O5C15H21 (1)
Stoich.:	AB2C3D5E15F21 (1)
Weight, g/mol:	398.112327
ΔH_f, kcal/mol:	-379.06
Dipole, Da:	7.01
IP(EA), eV:	-9.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)phenyl]sulfamoyl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(CO)C(C(=O)NCCS(=O)(=O)NC1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations