Geometry & MOs

Info

ID:	34485
PubChem CID:	7978530
Reduced:	FCl2N3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	400.093833
ΔH_f, kcal/mol:	-154.84
Dipole, Da:	4.95
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)F)Cl)Cl

DOS

IR

Vibrations