Geometry & MOs

Info

ID:

110220

PubChem CID:

50315808

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-226.44

Dipole, Da:

10.16

IP(EA), eV:

 -8.71(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=C(C=C(C=C6)F)C

DOS

IR

Vibrations