Geometry & MOs

Info

ID:	447499
PubChem CID:	135283378
Reduced:	Cl2O2S2N3H17C20 (1)
Stoich.:	A2B2C2D3E17F20 (1)
Weight, g/mol:	498.058711
ΔH_f, kcal/mol:	-2.01
Dipole, Da:	8.05
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[4-(2-chlorophenyl)sulfanyl-3-hydroxy-5-oxo-1H-pyrazol-2-yl]-thiophen-3-ylmethyl]phenyl]prop-2-enehydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SC2=C(N(NC2=O)C(C3=CC=C(C=C3)Cl)C4=CSC=C4)[O-])Cl.[NH4+]

DOS

IR

Vibrations