Geometry & MOs

Info

ID:

98080

PubChem CID:

50039177

Reduced:

F3O5N6C41H41 (1)

Stoich.:

A3B5C6D41E41 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-275.66

Dipole, Da:

13.59

IP(EA), eV:

 -8.81(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-5-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations