Geometry & MOs

Info

ID:	140867
PubChem CID:	52774076
Reduced:	OF2N3H17C23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	6.35
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-N-[(2S)-3-methylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C(=O)NC3=C(C(=CC=C3)F)F)C4=CC=CC=C4

DOS

IR

Vibrations