Geometry & MOs

Info

ID:

440898

PubChem CID:

135232107

Reduced:

O5N7C85H173 (1)

Stoich.:

A5B7C85D173 (1)

Weight, g/mol:

805.83633

ΔHf, kcal/mol:

-567.92

Dipole, Da:

9.45

IP(EA), eV:

 -8.76(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]amino]heptadecan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(=O)CNCC(CN(CCCCCCCCCCCCCC)CCCCN(CCCCCCCCCCCCCC)CC(CN(CC(=O)NCCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCCCC)O)O

DOS

IR

Vibrations