Geometry & MOs

Info

ID:

107441

PubChem CID:

50203284

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-169.92

Dipole, Da:

9.4

IP(EA), eV:

 -8.86(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-chloroanilino)-3-oxopropyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCCC4)Cl)C

DOS

IR

Vibrations