Geometry & MOs

Info

ID:

99295

PubChem CID:

50049735

Reduced:

F4O4N5C33H35 (1)

Stoich.:

A4B4C5D33E35 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-336.14

Dipole, Da:

11.9

IP(EA), eV:

 -8.95(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations