Geometry & MOs

Info

ID:	111126
PubChem CID:	50352965
Reduced:	F3O3N4C26H31 (1)
Stoich.:	A3B3C4D26E31 (1)
Weight, g/mol:	547.315855
ΔH_f, kcal/mol:	-243.23
Dipole, Da:	7.86
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F)C(=O)NCC(C)C

DOS

IR

Vibrations