Geometry & MOs

Info

ID:	138050
PubChem CID:	52303848
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	439.044976
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	3.0
IP(EA), eV:	-8.56(0.11)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

1-methyl-3-[4-[2-(trifluoromethoxy)phenyl]sulfonylazanidylphenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NCC2=CC=C(C=C2)N3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations