Geometry & MOs

Info

ID:

91922

PubChem CID:

49980255

Reduced:

FN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-278.55

Dipole, Da:

12.47

IP(EA), eV:

 -9.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations