Geometry & MOs

Info

ID:	104432
PubChem CID:	50104270
Reduced:	ClO5N6C31H33 (1)
Stoich.:	AB5C6D31E33 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-163.98
Dipole, Da:	6.04
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations