Geometry & MOs

Info

ID:

111895

PubChem CID:

50385548

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-225.84

Dipole, Da:

5.87

IP(EA), eV:

 -8.79(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-methyl-4-(propanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCC(CC6)C)C

DOS

IR

Vibrations