Geometry & MOs

Info

ID:

120200

PubChem CID:

50717704

Reduced:

BrClO5N6C34H36 (1)

Stoich.:

ABC5D6E34F36 (1)

Weight, g/mol:

750.19321

ΔHf, kcal/mol:

-161.89

Dipole, Da:

3.48

IP(EA), eV:

 -8.87(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(dimethylcarbamoyl)phenyl]-1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N

DOS

IR

Vibrations