Geometry & MOs

Info

ID:

107958

PubChem CID:

50225259

Reduced:

F3O5N6C41H41 (1)

Stoich.:

A3B5C6D41E41 (1)

Weight, g/mol:

580.249727

ΔHf, kcal/mol:

-283.06

Dipole, Da:

6.75

IP(EA), eV:

 -8.67(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=CC(=C6)F)F)C)F

DOS

IR

Vibrations