Geometry & MOs

Info

ID:

107474

PubChem CID:

50204465

Reduced:

FO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-259.75

Dipole, Da:

5.25

IP(EA), eV:

 -8.79(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations