Geometry & MOs

Info

ID:

105181

PubChem CID:

50106568

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-259.14

Dipole, Da:

5.67

IP(EA), eV:

 -8.92(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations