Geometry & MOs

Info

ID:	116452
PubChem CID:	50561176
Reduced:	ClO4N5C34H44 (1)
Stoich.:	AB4C5D34E44 (1)
Weight, g/mol:	492.173975
ΔH_f, kcal/mol:	-172.36
Dipole, Da:	8.75
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations