Geometry & MOs

Info

ID:

108349

PubChem CID:

50242142

Reduced:

F4O5N6C40H40 (1)

Stoich.:

A4B5C6D40E40 (1)

Weight, g/mol:

685.287589

ΔHf, kcal/mol:

-325.99

Dipole, Da:

7.84

IP(EA), eV:

 -9.05(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations