Geometry & MOs

Info

ID:	112478
PubChem CID:	50408823
Reduced:	O4N5C32H45 (1)
Stoich.:	A4B5C32D45 (1)
Weight, g/mol:	525.275133
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	2.11
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N(CC)CC)C)C

DOS

IR

Vibrations