Geometry & MOs

Info

ID:

97399

PubChem CID:

50031193

Reduced:

F2N6O6C41H42 (1)

Stoich.:

A2B6C6D41E42 (1)

Weight, g/mol:

564.254812

ΔHf, kcal/mol:

-251.71

Dipole, Da:

3.24

IP(EA), eV:

 -8.31(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6)OC

DOS

IR

Vibrations