Geometry & MOs

Info

ID:	322329
PubChem CID:	126669763
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	547.240183
ΔH_f, kcal/mol:	-198.1
Dipole, Da:	4.23
IP(EA), eV:	-8.69(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-chloro-4-methylphenyl)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCNC1C2=CC=C(C=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations