Geometry & MOs

Info

ID:

94897

PubChem CID:

50004729

Reduced:

O5N6C39H50 (1)

Stoich.:

A5B6C39D50 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-204.49

Dipole, Da:

11.63

IP(EA), eV:

 -8.66(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations