Geometry & MOs

Info

ID:	243110
PubChem CID:	99215694
Reduced:	SF3O3N4H19C20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	452.112996
ΔH_f, kcal/mol:	-198.21
Dipole, Da:	7.9
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)NC(=O)C2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F

DOS

IR

Vibrations