Geometry & MOs

Info

ID:	116530
PubChem CID:	50564292
Reduced:	ClN5O5C29H36 (1)
Stoich.:	AB5C5D29E36 (1)
Weight, g/mol:	619.11971
ΔH_f, kcal/mol:	-184.16
Dipole, Da:	10.89
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-carbamoylphenyl)-1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations