Geometry & MOs

Info

ID:	140055
PubChem CID:	52638061
Reduced:	BrNOF3C17H25 (1)
Stoich.:	ABCD3E17F25 (1)
Weight, g/mol:	431.131506
ΔH_f, kcal/mol:	-255.91
Dipole, Da:	5.88
IP(EA), eV:	-9.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC(F)(F)F)C(=O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)Br

DOS

IR

Vibrations