Geometry & MOs

Info

ID:

120492

PubChem CID:

50730157

Reduced:

ClN5O5C31H42 (1)

Stoich.:

AB5C5D31E42 (1)

Weight, g/mol:

573.251811

ΔHf, kcal/mol:

-216.06

Dipole, Da:

6.49

IP(EA), eV:

 -8.9(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)OC

DOS

IR

Vibrations