Geometry & MOs

Info

ID:	113582
PubChem CID:	50452040
Reduced:	O3F4N4H26C28 (1)
Stoich.:	A3B4C4D26E28 (1)
Weight, g/mol:	563.234411
ΔH_f, kcal/mol:	-242.72
Dipole, Da:	6.36
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3F)F)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations