Geometry & MOs

Info

ID:

107919

PubChem CID:

50224060

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-244.42

Dipole, Da:

4.9

IP(EA), eV:

 -8.52(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-(cyclohexanecarbonylamino)-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)CC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations