Geometry & MOs

Info

ID:	159497
PubChem CID:	57288255
Reduced:	OC16H30 (1)
Stoich.:	AB16C30 (1)
Weight, g/mol:	519.962356
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	1.9
IP(EA), eV:	-7.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-acetamido-2-chloroanilino)-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl] carbamimidothioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=C=O)C

DOS

IR

Vibrations