Geometry & MOs

Info

ID:

113055

PubChem CID:

50429905

Reduced:

FO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-204.62

Dipole, Da:

3.4

IP(EA), eV:

 -8.96(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)F)C)C

DOS

IR

Vibrations