Geometry & MOs

Info

ID:

104285

PubChem CID:

50103926

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-173.3

Dipole, Da:

8.12

IP(EA), eV:

 -8.67(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations