Geometry & MOs

Info

ID:

103255

PubChem CID:

50071367

Reduced:

F4O4N5C33H35 (1)

Stoich.:

A4B4C5D33E35 (1)

Weight, g/mol:

637.287589

ΔHf, kcal/mol:

-307.96

Dipole, Da:

9.77

IP(EA), eV:

 -9.11(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(3-fluoro-4-methylanilino)-3-methyl-1-oxobutan-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)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations