Geometry & MOs

Info

ID:

104332

PubChem CID:

50104055

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-170.5

Dipole, Da:

8.26

IP(EA), eV:

 -8.66(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations