Geometry & MOs

Info

ID:	34578
PubChem CID:	7978688
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	403.091054
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	3.36
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CCC(=O)C4=CC=CS4

DOS

IR

Vibrations