Geometry & MOs

Info

ID:

91552

PubChem CID:

49976858

Reduced:

F2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-300.14

Dipole, Da:

8.11

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations