Geometry & MOs

Info

ID:	60952
PubChem CID:	26703545
Reduced:	S2F3N3O3H20C22 (1)
Stoich.:	A2B3C3D3E20F22 (1)
Weight, g/mol:	427.153206
ΔH_f, kcal/mol:	-201.76
Dipole, Da:	1.21
IP(EA), eV:	-9.21(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] 1-benzylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations