Geometry & MOs

Info

ID:	34517
PubChem CID:	7978612
Reduced:	ClSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	331.108754
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	10.73
IP(EA), eV:	-8.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations