Geometry & MOs

Info

ID:

111459

PubChem CID:

50368647

Reduced:

F3N4O5C27H31 (1)

Stoich.:

A3B4C5D27E31 (1)

Weight, g/mol:

704.369761

ΔHf, kcal/mol:

-339.79

Dipole, Da:

4.68

IP(EA), eV:

 -8.99(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3OC(F)(F)F)C(=O)N4CCOCC4

DOS

IR

Vibrations