Geometry & MOs

Info

ID:

118001

PubChem CID:

50623737

Reduced:

ClFO3N4C26H32 (1)

Stoich.:

ABC3D4E26F32 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-162.56

Dipole, Da:

8.98

IP(EA), eV:

 -8.93(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations