Geometry & MOs

Info

ID:

99581

PubChem CID:

50051798

Reduced:

F2N5O5C34H39 (1)

Stoich.:

A2B5C5D34E39 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-251.92

Dipole, Da:

7.36

IP(EA), eV:

 -8.94(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC

DOS

IR

Vibrations