Geometry & MOs

Info

ID:	118565
PubChem CID:	50647392
Reduced:	ClF2O3N4C25H29 (1)
Stoich.:	AB2C3D4E25F29 (1)
Weight, g/mol:	583.292532
ΔH_f, kcal/mol:	-204.68
Dipole, Da:	4.73
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(diethylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations