Geometry & MOs

Info

ID:

112192

PubChem CID:

50398188

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

664.374847

ΔHf, kcal/mol:

-189.0

Dipole, Da:

2.46

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations