Geometry & MOs

Info

ID:

110408

PubChem CID:

50323484

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-227.64

Dipole, Da:

3.53

IP(EA), eV:

 -8.86(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C

DOS

IR

Vibrations