Geometry & MOs

Info

ID:	118981
PubChem CID:	50666381
Reduced:	ClF2O3N4C25H29 (1)
Stoich.:	AB2C3D4E25F29 (1)
Weight, g/mol:	625.226739
ΔH_f, kcal/mol:	-205.5
Dipole, Da:	6.9
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(2,5-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations