Geometry & MOs

Info

ID:

108913

PubChem CID:

50264625

Reduced:

O4N5C33H39 (1)

Stoich.:

A4B5C33D39 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-136.23

Dipole, Da:

4.5

IP(EA), eV:

 -8.76(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations