Geometry & MOs

Info

ID:	34526
PubChem CID:	7978627
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-202.31
Dipole, Da:	8.93
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CCC2CCCC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations