Geometry & MOs

Info

ID:

107672

PubChem CID:

50214405

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

580.300933

ΔHf, kcal/mol:

-240.29

Dipole, Da:

7.82

IP(EA), eV:

 -9.01(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-(propanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations