Geometry & MOs

Info

ID:

108635

PubChem CID:

50252236

Reduced:

Cl2F2O4N5C31H31 (1)

Stoich.:

A2B2C4D5E31F31 (1)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-218.39

Dipole, Da:

3.36

IP(EA), eV:

 -9.12(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations