Geometry & MOs

Info

ID:

95231

PubChem CID:

50007397

Reduced:

F2O4N5C32H43 (1)

Stoich.:

A2B4C5D32E43 (1)

Weight, g/mol:

617.318889

ΔHf, kcal/mol:

-269.03

Dipole, Da:

6.12

IP(EA), eV:

 -8.84(-0.49)

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-[3-methyl-1-oxo-1-(2,3,4-trifluoroanilino)butan-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)C)C(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations