Geometry & MOs

Info

ID:	152317
PubChem CID:	56311224
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	479.18902
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	3.3
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluoro-N-propan-2-ylanilino)ethanone

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)NC1=CC=CC=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations