Geometry & MOs

Info

ID:	89506
PubChem CID:	49962167
Reduced:	OSN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	340.014537
ΔH_f, kcal/mol:	85.95
Dipole, Da:	4.59
IP(EA), eV:	-8.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-chloro-3-nitrophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)N(C)C)C(=S)N

DOS

IR

Vibrations