Geometry & MOs

Info

ID:

108721

PubChem CID:

50255940

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-187.88

Dipole, Da:

5.34

IP(EA), eV:

 -8.69(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations