Geometry & MOs

Info

ID:	109786
PubChem CID:	50297376
Reduced:	F2O4N5C27H33 (1)
Stoich.:	A2B4C5D27E33 (1)
Weight, g/mol:	553.290034
ΔH_f, kcal/mol:	-248.7
Dipole, Da:	6.79
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations