Geometry & MOs

Info

ID:	120406
PubChem CID:	50725663
Reduced:	Cl2O3N4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	587.267461
ΔH_f, kcal/mol:	-123.22
Dipole, Da:	6.13
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)Cl

DOS

IR

Vibrations