Geometry & MOs

Info

ID:

115401

PubChem CID:

50521881

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

577.226739

ΔHf, kcal/mol:

-185.0

Dipole, Da:

11.39

IP(EA), eV:

 -8.75(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations