Geometry & MOs

Info

ID:	34524
PubChem CID:	7978625
Reduced:	SN2O6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-225.41
Dipole, Da:	7.95
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations