Geometry & MOs

Info

ID:

114943

PubChem CID:

50502839

Reduced:

ClN6O6C33H45 (1)

Stoich.:

AB6C6D33E45 (1)

Weight, g/mol:

676.277611

ΔHf, kcal/mol:

-257.24

Dipole, Da:

8.44

IP(EA), eV:

 -8.91(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations