Geometry & MOs

Info

ID:

106225

PubChem CID:

50153291

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-276.44

Dipole, Da:

9.66

IP(EA), eV:

 -8.82(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)NC4=CC(=C(C=C4)F)F)C)C

DOS

IR

Vibrations