Geometry & MOs

Info

ID:

117036

PubChem CID:

50586184

Reduced:

Cl2O5N6C36H48 (1)

Stoich.:

A2B5C6D36E48 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-242.82

Dipole, Da:

14.13

IP(EA), eV:

 -8.87(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations