Geometry & MOs

Info

ID:

113442

PubChem CID:

50445655

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-244.52

Dipole, Da:

6.44

IP(EA), eV:

 -8.96(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations