Geometry & MOs

Info

ID:

220161

PubChem CID:

85165311

Reduced:

NS2Cl3F3O9C21H25 (1)

Stoich.:

AB2C3D3E9F21G25 (1)

Weight, g/mol:

661.267785

ΔHf, kcal/mol:

-539.11

Dipole, Da:

3.17

IP(EA), eV:

 -9.38(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanylmethylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations