Geometry & MOs

Info

ID:	100065
PubChem CID:	50057959
Reduced:	F2O3N4C28H28 (1)
Stoich.:	A2B3C4D28E28 (1)
Weight, g/mol:	569.300205
ΔH_f, kcal/mol:	-151.64
Dipole, Da:	9.78
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations