Geometry & MOs

Info

ID:

110338

PubChem CID:

50320606

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-281.07

Dipole, Da:

5.37

IP(EA), eV:

 -8.81(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F)C(=O)NC(C)C

DOS

IR

Vibrations