Geometry & MOs

Info

ID:

108330

PubChem CID:

50241591

Reduced:

FO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

685.287589

ΔHf, kcal/mol:

-200.37

Dipole, Da:

7.22

IP(EA), eV:

 -8.68(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)C)C)C

DOS

IR

Vibrations