Geometry & MOs

Info

ID:	94794
PubChem CID:	50003965
Reduced:	ClF3O3N4C28H34 (1)
Stoich.:	AB3C3D4E28F34 (1)
Weight, g/mol:	583.315855
ΔH_f, kcal/mol:	-290.65
Dipole, Da:	6.01
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations