Geometry & MOs

Info

ID:

118321

PubChem CID:

50638299

Reduced:

Cl2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-210.42

Dipole, Da:

3.24

IP(EA), eV:

 -8.72(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations