Geometry & MOs

Info

ID:

99768

PubChem CID:

50054851

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-174.28

Dipole, Da:

11.82

IP(EA), eV:

 -8.64(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations