Geometry & MOs

Info

ID:

96212

PubChem CID:

50019430

Reduced:

F4O4N5C33H35 (1)

Stoich.:

A4B4C5D33E35 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-333.03

Dipole, Da:

9.89

IP(EA), eV:

 -9.03(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations