Geometry & MOs

Info

ID:

114361

PubChem CID:

50480377

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-270.77

Dipole, Da:

5.7

IP(EA), eV:

 -8.97(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations