Geometry & MOs

Info

ID:

99940

PubChem CID:

50056470

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-258.5

Dipole, Da:

8.3

IP(EA), eV:

 -8.83(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations