Geometry & MOs

Info

ID:

104592

PubChem CID:

50104675

Reduced:

FO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-206.69

Dipole, Da:

5.94

IP(EA), eV:

 -9.15(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations