Geometry & MOs

Info

ID:

108708

PubChem CID:

50255392

Reduced:

O5N6C38H46 (1)

Stoich.:

A5B6C38D46 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-175.18

Dipole, Da:

5.91

IP(EA), eV:

 -8.75(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[[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

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5

DOS

IR

Vibrations