Geometry & MOs

Info

ID:	154938
PubChem CID:	56314494
Reduced:	SN2F3O5C19H21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	462.149045
ΔH_f, kcal/mol:	-318.51
Dipole, Da:	2.12
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC(=CC=C2)S(=O)(=O)N)OCC(F)(F)F

DOS

IR

Vibrations