Geometry & MOs

Info

ID:

117497

PubChem CID:

50605193

Reduced:

Cl2O4N5C32H41 (1)

Stoich.:

A2B4C5D32E41 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-174.42

Dipole, Da:

10.32

IP(EA), eV:

 -8.88(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-[(2-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)Cl

DOS

IR

Vibrations