Geometry & MOs

Info

ID:	79691
PubChem CID:	49829999
Reduced:	SN2O5C20H28 (1)
Stoich.:	AB2C5D20E28 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-198.63
Dipole, Da:	4.59
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC(C1(C)C)CC2NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC

DOS

IR

Vibrations