Geometry & MOs

Info

ID:	106631
PubChem CID:	50171071
Reduced:	SO4N6C28H38 (1)
Stoich.:	AB4C6D28E38 (1)
Weight, g/mol:	558.216446
ΔH_f, kcal/mol:	-146.65
Dipole, Da:	3.09
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4

DOS

IR

Vibrations