Geometry & MOs

Info

ID:

100489

PubChem CID:

50061751

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-254.32

Dipole, Da:

18.68

IP(EA), eV:

 -8.49(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5CCCCC5

DOS

IR

Vibrations