Geometry & MOs

Info

ID:	34543
PubChem CID:	7978645
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	363.134969
ΔH_f, kcal/mol:	-140.83
Dipole, Da:	3.54
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)SCC(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations