Geometry & MOs

Info

ID:	120640
PubChem CID:	50738287
Reduced:	ClO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-176.61
Dipole, Da:	7.28
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)C

DOS

IR

Vibrations