Geometry & MOs

Info

ID:	189983
PubChem CID:	77936088
Reduced:	SF3O4N6H15C21 (1)
Stoich.:	AB3C4D6E15F21 (1)
Weight, g/mol:	519.269734
ΔH_f, kcal/mol:	-197.17
Dipole, Da:	10.28
IP(EA), eV:	-9.5(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopentylamino)cyclohexa-2,4-dien-1-yl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-fluorophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(F)(F)F)C3=NC=C4C(=C3)C(=O)C(C=N4)C(=O)O

DOS

IR

Vibrations