Geometry & MOs

Info

ID:

97245

PubChem CID:

50029115

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

607.260626

ΔHf, kcal/mol:

-227.49

Dipole, Da:

10.61

IP(EA), eV:

 -8.3(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methoxy-4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)OC

DOS

IR

Vibrations