Geometry & MOs

Info

ID:

445110

PubChem CID:

135264550

Reduced:

NOC10H12 (4)

Stoich.:

ABC10D12 (4)

Weight, g/mol:

751.416498

ΔHf, kcal/mol:

-97.33

Dipole, Da:

7.27

IP(EA), eV:

 -8.62(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-N-[1-(tert-butylsulfonylamino)-3-[4-[N-methylidene-N'-[(E)-2-[4-(4-propylcyclohexyl)piperidin-1-yl]prop-1-enyl]carbamimidoyl]phenyl]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)N4CCCC4)NC(=O)C5=CC=C(C=C5)OCCC

DOS

IR

Vibrations