Geometry & MOs

Info

ID:

117326

PubChem CID:

50598206

Reduced:

Cl2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-181.61

Dipole, Da:

6.15

IP(EA), eV:

 -8.85(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCCCC6)Cl

DOS

IR

Vibrations