Geometry & MOs

Info

ID:

97369

PubChem CID:

50030700

Reduced:

F3O5N6H35C37 (1)

Stoich.:

A3B5C6D35E37 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-257.94

Dipole, Da:

11.88

IP(EA), eV:

 -8.71(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations