Geometry & MOs

Info

ID:	117705
PubChem CID:	50612314
Reduced:	ClO4N5C28H34 (1)
Stoich.:	AB4C5D28E34 (1)
Weight, g/mol:	603.12479
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	4.29
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-1-[1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations