Geometry & MOs

Info

ID:

98997

PubChem CID:

50047819

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-227.78

Dipole, Da:

9.39

IP(EA), eV:

 -8.75(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations