Geometry & MOs

Info

ID:

112048

PubChem CID:

50392984

Reduced:

F2O4N5C34H45 (1)

Stoich.:

A2B4C5D34E45 (1)

Weight, g/mol:

740.369761

ΔHf, kcal/mol:

-272.5

Dipole, Da:

5.6

IP(EA), eV:

 -8.75(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations