Geometry & MOs

Info

ID:	120618
PubChem CID:	50737171
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	561.19096
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	5.63
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-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)NCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations