Geometry & MOs

Info

ID:	120541
PubChem CID:	50732593
Reduced:	ClO5N6C25H29 (1)
Stoich.:	AB5C6D25E29 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-189.81
Dipole, Da:	2.86
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations