Geometry & MOs

Info

ID:	99448
PubChem CID:	50050800
Reduced:	ClF2O3N4C29H29 (1)
Stoich.:	AB2C3D4E29F29 (1)
Weight, g/mol:	574.135002
ΔH_f, kcal/mol:	-174.11
Dipole, Da:	7.2
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations