Geometry & MOs

Info

ID:

94317

PubChem CID:

49999638

Reduced:

O5N6C43H62 (1)

Stoich.:

A5B6C43D62 (1)

Weight, g/mol:

692.406147

ΔHf, kcal/mol:

-255.16

Dipole, Da:

7.66

IP(EA), eV:

 -9.0(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations