Geometry & MOs

Info

ID:

104976

PubChem CID:

50106076

Reduced:

F4O4N5C34H37 (1)

Stoich.:

A4B4C5D34E37 (1)

Weight, g/mol:

655.278167

ΔHf, kcal/mol:

-318.0

Dipole, Da:

5.5

IP(EA), eV:

 -9.1(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,6-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations