Geometry & MOs

Info

ID:

111112

PubChem CID:

50352302

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

650.359197

ΔHf, kcal/mol:

-251.72

Dipole, Da:

9.7

IP(EA), eV:

 -8.61(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F)C(=O)NCC(C)C

DOS

IR

Vibrations