Geometry & MOs

Info

ID:	226239
PubChem CID:	87350206
Reduced:	ON3F6H11C17 (1)
Stoich.:	AB3C6D11E17 (1)
Weight, g/mol:	515.165011
ΔH_f, kcal/mol:	-270.75
Dipole, Da:	7.68
IP(EA), eV:	-8.8(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[1-[2,5-difluoro-4-(sulfonylcarbamoylamino)phenyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations