Geometry & MOs

Info

ID:	120568
PubChem CID:	50734426
Reduced:	ClO5N6C37H43 (1)
Stoich.:	AB5C6D37E43 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-179.49
Dipole, Da:	4.76
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methylcarbamoyl)phenyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations