Geometry & MOs

Info

ID:

114126

PubChem CID:

50472841

Reduced:

N5O5C37H45 (1)

Stoich.:

A5B5C37D45 (1)

Weight, g/mol:

673.22637

ΔHf, kcal/mol:

-168.37

Dipole, Da:

4.4

IP(EA), eV:

 -8.49(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-[1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations