Geometry & MOs

Info

ID:	173639
PubChem CID:	75664085
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	288.072177
ΔH_f, kcal/mol:	-101.13
Dipole, Da:	4.75
IP(EA), eV:	-8.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)benzohydrazide

Drug info:

PubChemData

Smile

CCN(CCO)C1=CC(=C(C=C1)C=C2C(=O)N=C(S2)CC(=O)C(C)(C)C)C

DOS

IR

Vibrations