Geometry & MOs

Info

ID:

97592

PubChem CID:

50032827

Reduced:

F4O4N5C33H35 (1)

Stoich.:

A4B4C5D33E35 (1)

Weight, g/mol:

637.287589

ΔHf, kcal/mol:

-303.73

Dipole, Da:

5.51

IP(EA), eV:

 -9.19(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations