Geometry & MOs

Info

ID:

107529

PubChem CID:

50207343

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-264.47

Dipole, Da:

9.71

IP(EA), eV:

 -8.87(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=CC=C4F)F)C)C

DOS

IR

Vibrations