Geometry & MOs

Info

ID:

102502

PubChem CID:

50067841

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-217.65

Dipole, Da:

5.44

IP(EA), eV:

 -9.02(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations