Geometry & MOs

Info

ID:

441284

PubChem CID:

135233972

Reduced:

SN3H31C49 (1)

Stoich.:

AB3C31D49 (1)

Weight, g/mol:

1133.124907

ΔHf, kcal/mol:

248.64

Dipole, Da:

2.11

IP(EA), eV:

 -8.46(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[dodecyl-[4-[[2-hydroxy-3-[[3-oxo-3-(tetradecylamino)propyl]amino]propyl]-tetradecylamino]butyl]amino]-2-hydroxypropyl]amino]-N-tetradecylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=C6C(=CC=C5)SC7=C6C=C(C=C7)C8=CC=C(C9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations