Geometry & MOs

Info

ID:

117697

PubChem CID:

50611944

Reduced:

Cl2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-195.69

Dipole, Da:

3.74

IP(EA), eV:

 -8.94(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations