Geometry & MOs

Info

ID:

118226

PubChem CID:

50634355

Reduced:

Cl2O5N6C40H52 (1)

Stoich.:

A2B5C6D40E52 (1)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

-234.32

Dipole, Da:

4.22

IP(EA), eV:

 -9.18(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6CCCCC6)Cl

DOS

IR

Vibrations