Geometry & MOs

Info

ID:

108800

PubChem CID:

50259870

Reduced:

O5N6C40H44 (1)

Stoich.:

A5B6C40D44 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-145.94

Dipole, Da:

1.52

IP(EA), eV:

 -8.74(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations