Geometry & MOs

Info

ID:	174286
PubChem CID:	75748493
Reduced:	ClSN4O6C18H20 (1)
Stoich.:	ABC4D6E18F20 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797985
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,4-dimethoxybenzoyl)hydrazinyl]-N-(3,5-dimethylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)[O-])C)Cl

DOS

IR

Vibrations