Geometry & MOs

Info

ID:	34522
PubChem CID:	7978623
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	397.095997
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	9.0
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations