Geometry & MOs

Info

ID:

110777

PubChem CID:

50339755

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-199.87

Dipole, Da:

1.52

IP(EA), eV:

 -8.96(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC)C(=O)N4CCCC4

DOS

IR

Vibrations