Geometry & MOs

Info

ID:	107722
PubChem CID:	50216298
Reduced:	ClO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-174.07
Dipole, Da:	8.94
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations