Geometry & MOs

Info

ID:

114231

PubChem CID:

50474789

Reduced:

F3O5N6C32H33 (1)

Stoich.:

A3B5C6D32E33 (1)

Weight, g/mol:

680.293403

ΔHf, kcal/mol:

-299.45

Dipole, Da:

3.16

IP(EA), eV:

 -8.82(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-fluoro-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations