Geometry & MOs

Info

ID:

109340

PubChem CID:

50281042

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-174.44

Dipole, Da:

12.34

IP(EA), eV:

 -8.77(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC(C)C

DOS

IR

Vibrations