Geometry & MOs

Info

ID:	112562
PubChem CID:	50411752
Reduced:	BrO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-169.65
Dipole, Da:	3.68
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Br)C

DOS

IR

Vibrations