Geometry & MOs

Info

ID:

113577

PubChem CID:

50451845

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-249.3

Dipole, Da:

3.77

IP(EA), eV:

 -9.0(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations