Geometry & MOs

Info

ID:	118156
PubChem CID:	50631324
Reduced:	BrCl2O4N5C28H34 (1)
Stoich.:	AB2C4D5E28F34 (1)
Weight, g/mol:	569.276883
ΔH_f, kcal/mol:	-163.57
Dipole, Da:	8.97
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations