Geometry & MOs

Info

ID:

112313

PubChem CID:

50401791

Reduced:

F4N5O5C33H35 (1)

Stoich.:

A4B5C5D33E35 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-368.05

Dipole, Da:

6.65

IP(EA), eV:

 -8.92(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-fluoroanilino)-2-oxoethyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3OC(F)(F)F)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations