Geometry & MOs

Info

ID:	178077
PubChem CID:	76273689
Reduced:	SN3O6C17H21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	438.097346
ΔH_f, kcal/mol:	-175.48
Dipole, Da:	4.73
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-phenylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)NCC2COC3=CC=CC=C3O2

DOS

IR

Vibrations