Geometry & MOs

Info

ID:

107598

PubChem CID:

50210494

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-184.38

Dipole, Da:

7.24

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations