Geometry & MOs

Info

ID:

92976

PubChem CID:

49990852

Reduced:

O5N6C39H56 (1)

Stoich.:

A5B6C39D56 (1)

Weight, g/mol:

678.390497

ΔHf, kcal/mol:

-246.46

Dipole, Da:

11.26

IP(EA), eV:

 -8.77(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C)C

DOS

IR

Vibrations