Geometry & MOs

Info

ID:	244844
PubChem CID:	99431449
Reduced:	SN2F3O4C19H27 (1)
Stoich.:	AB2C3D4E19F27 (1)
Weight, g/mol:	445.197712
ΔH_f, kcal/mol:	-336.65
Dipole, Da:	7.85
IP(EA), eV:	-9.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-propan-2-yl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC[C@H](C1)C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations