Geometry & MOs

Info

ID:

92657

PubChem CID:

49988821

Reduced:

FO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-282.95

Dipole, Da:

7.11

IP(EA), eV:

 -8.85(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations