Geometry & MOs

Info

ID:

113181

PubChem CID:

50433962

Reduced:

FO4N5C33H46 (1)

Stoich.:

AB4C5D33E46 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-238.81

Dipole, Da:

3.98

IP(EA), eV:

 -8.76(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(3-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations