Geometry & MOs

Info

ID:

109392

PubChem CID:

50282695

Reduced:

F2O4N5C37H43 (1)

Stoich.:

A2B4C5D37E43 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-235.33

Dipole, Da:

11.15

IP(EA), eV:

 -8.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)C

DOS

IR

Vibrations