Geometry & MOs

Info

ID:	106610
PubChem CID:	50170976
Reduced:	ClO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	558.216446
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	10.86
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations