Geometry & MOs

Info

ID:	118938
PubChem CID:	50664268
Reduced:	ClFO4N5C30H37 (1)
Stoich.:	ABC4D5E30F37 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	6.87
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations