Geometry & MOs

Info

ID:	115721
PubChem CID:	50532012
Reduced:	ClN5O5C26H32 (1)
Stoich.:	AB5C5D26E32 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-179.94
Dipole, Da:	9.77
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-(dimethylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)OC

DOS

IR

Vibrations