Geometry & MOs

Info

ID:

103778

PubChem CID:

50073043

Reduced:

O5N6C41H46 (1)

Stoich.:

A5B6C41D46 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-159.0

Dipole, Da:

1.99

IP(EA), eV:

 -8.76(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations