Geometry & MOs

Info

ID:

94206

PubChem CID:

49999026

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-184.92

Dipole, Da:

5.87

IP(EA), eV:

 -9.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations