Geometry & MOs

Info

ID:	115809
PubChem CID:	50534845
Reduced:	ClO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	557.240497
ΔH_f, kcal/mol:	-206.2
Dipole, Da:	5.92
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(2-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C)Cl

DOS

IR

Vibrations