Geometry & MOs

Info

ID:

120135

PubChem CID:

50715286

Reduced:

Cl2O5N6C38H52 (1)

Stoich.:

A2B5C6D38E52 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-255.91

Dipole, Da:

9.53

IP(EA), eV:

 -9.01(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations