Geometry & MOs

Info

ID:	112482
PubChem CID:	50409168
Reduced:	O4N5C34H47 (1)
Stoich.:	A4B5C34D47 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-183.56
Dipole, Da:	9.0
IP(EA), eV:	-8.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations