Geometry & MOs

Info

ID:

113787

PubChem CID:

50458572

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-276.15

Dipole, Da:

7.77

IP(EA), eV:

 -8.85(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)F)F)C

DOS

IR

Vibrations