Geometry & MOs

Info

ID:	91089
PubChem CID:	49973227
Reduced:	ClN4O5C28H35 (1)
Stoich.:	AB4C5D28E35 (1)
Weight, g/mol:	584.19982
ΔH_f, kcal/mol:	-186.55
Dipole, Da:	6.0
IP(EA), eV:	-8.76(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations