Geometry & MOs

Info

ID:

117293

PubChem CID:

50597883

Reduced:

ClSO4N5C31H42 (1)

Stoich.:

ABC4D5E31F42 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-169.45

Dipole, Da:

7.77

IP(EA), eV:

 -8.56(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)SC)Cl

DOS

IR

Vibrations