Geometry & MOs

Info

ID:	109030
PubChem CID:	50269358
Reduced:	BrO3N4C32H37 (1)
Stoich.:	AB3C4D32E37 (1)
Weight, g/mol:	526.294391
ΔH_f, kcal/mol:	-93.33
Dipole, Da:	8.46
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-(1-phenylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4C)Br)C)C

DOS

IR

Vibrations