Geometry & MOs

Info

ID:	115774
PubChem CID:	50533667
Reduced:	ClFO3N4C26H30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	553.245582
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	5.97
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[4-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations