Geometry & MOs

Info

ID:

101551

PubChem CID:

50064822

Reduced:

F3O5N6C43H47 (1)

Stoich.:

A3B5C6D43E47 (1)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-301.72

Dipole, Da:

8.42

IP(EA), eV:

 -8.91(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F)F

DOS

IR

Vibrations