Geometry & MOs

Info

ID:	120028
PubChem CID:	50711948
Reduced:	ClSO4N5C26H32 (1)
Stoich.:	ABC4D5E26F32 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-147.65
Dipole, Da:	7.32
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-oxo-3-(4-propan-2-ylanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations