Geometry & MOs

Info

ID:

96315

PubChem CID:

50019740

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-224.71

Dipole, Da:

11.34

IP(EA), eV:

 -8.58(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C

DOS

IR

Vibrations