Geometry & MOs

Info

ID:	120638
PubChem CID:	50738285
Reduced:	ClO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-174.22
Dipole, Da:	4.25
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-2-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=C(C=C3)Cl)C

DOS

IR

Vibrations