Geometry & MOs

Info

ID:	104239
PubChem CID:	50100106
Reduced:	BrO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-125.54
Dipole, Da:	5.48
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations