Geometry & MOs

Info

ID:	109956
PubChem CID:	50302968
Reduced:	Cl2O4N5C27H31 (1)
Stoich.:	A2B4C5D27E31 (1)
Weight, g/mol:	603.12479
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	6.25
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1-[1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)Cl)C(=O)N

DOS

IR

Vibrations