Geometry & MOs

Info

ID:	445806
PubChem CID:	135269630
Reduced:	ClO2F3N3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-170.66
Dipole, Da:	6.92
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,6S)-4-[(2E,4Z)-2-[1-(furan-2-yl)ethenyl]hexa-2,4-dienoyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1CC2=C(C(=CC=C2)Cl)C(F)(F)F)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations