Geometry & MOs

Info

ID:

192857

PubChem CID:

78321555

Reduced:

PSN4O13C52H95 (1)

Stoich.:

ABC4D13E52F95 (1)

Weight, g/mol:

1068.617342

ΔHf, kcal/mol:

-791.73

Dipole, Da:

9.17

IP(EA), eV:

 -9.07(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;[6-[5-[(3aR,6aS)-3-carboxy-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoylamino]hexanoylamino] 2,3-di(hexadecanoyloxy)propyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)ONC(=O)CCCCCNC(=O)CCCCC1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations