Geometry & MOs

Info

ID:	447498
PubChem CID:	135283370
Reduced:	IO3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	465.013924
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	1.67
IP(EA), eV:	-10.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;4-(2-chlorophenyl)sulfanyl-2-[(4-chlorophenyl)-thiophen-3-ylmethyl]-5-oxo-1H-pyrazol-3-olate

Drug info:

PubChemData

Smile

CC(CI)C(=O)OCCO

DOS

IR

Vibrations