Geometry & MOs

Info

ID:

190838

PubChem CID:

78066878

Reduced:

PSCl2N2O6C12H17 (1)

Stoich.:

ABC2D2E6F12G17 (1)

Weight, g/mol:

686.35338

ΔHf, kcal/mol:

-328.27

Dipole, Da:

7.66

IP(EA), eV:

 -9.06(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)SCC(C(=O)O)N

DOS

IR

Vibrations