Geometry & MOs

Info

ID:

95402

PubChem CID:

50009049

Reduced:

FO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

650.359197

ΔHf, kcal/mol:

-261.54

Dipole, Da:

4.64

IP(EA), eV:

 -8.75(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)F

DOS

IR

Vibrations