Geometry & MOs

Info

ID:

215765

PubChem CID:

85085221

Reduced:

FSN7O18C78H116 (1)

Stoich.:

ABC7D18E78F116 (1)

Weight, g/mol:

1495.178142

ΔHf, kcal/mol:

-859.12

Dipole, Da:

10.2

IP(EA), eV:

 -8.54(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CC5=C(C(=CC6=CC=C(C=C6)S(=O)C)C7=C5C=C(C=C7)F)C)C)O)(C)O

DOS

IR

Vibrations