Geometry & MOs

Info

ID:	112558
PubChem CID:	50411644
Reduced:	F3O3N4C29H29 (1)
Stoich.:	A3B3C4D29E29 (1)
Weight, g/mol:	549.218761
ΔH_f, kcal/mol:	-212.47
Dipole, Da:	5.3
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations