Geometry & MOs

Info

ID:	154553
PubChem CID:	56314015
Reduced:	F3O3N4C21H23 (1)
Stoich.:	A3B3C4D21E23 (1)
Weight, g/mol:	389.102097
ΔH_f, kcal/mol:	-240.54
Dipole, Da:	9.37
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonyl)ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC=C(C=C2)NC(=O)N)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations