Geometry & MOs

Info

ID:

120447

PubChem CID:

50727910

Reduced:

Cl2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-181.88

Dipole, Da:

5.22

IP(EA), eV:

 -8.3(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations