Geometry & MOs

Info

ID:	89504
PubChem CID:	49962148
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	422.119481
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	5.48
IP(EA), eV:	-8.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-3-methyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hydrazinylidene]-5-oxopyrazole-1-carbothioamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C3C(=C(OC(=C3C(=O)OCC)C)N)C#N)C4=CC=CC=C41

DOS

IR

Vibrations