Geometry & MOs

Info

ID:

114097

PubChem CID:

50471459

Reduced:

O5N6C44H58 (1)

Stoich.:

A5B6C44D58 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-213.97

Dipole, Da:

9.02

IP(EA), eV:

 -8.81(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations