Geometry & MOs

Info

ID:

99541

PubChem CID:

50051166

Reduced:

F4O4N5H31C35 (1)

Stoich.:

A4B4C5D31E35 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-259.89

Dipole, Da:

6.47

IP(EA), eV:

 -8.99(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]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)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations