Geometry & MOs

Info

ID:	180098
PubChem CID:	76576889
Reduced:	SO2F3N5H18C19 (1)
Stoich.:	AB2C3D5E18F19 (1)
Weight, g/mol:	654.092339
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	5.16
IP(EA), eV:	-8.89(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[[2-[[2-acetamido-3-(2,3-diacetyloxypropylsulfanyl)propanoyl]-hydroxyamino]-2-(2-sulfonatoethylamino)ethyl]amino]ethanesulfonate

Drug info:

PubChemData

Smile

C1CC2CSC(=NC2(C1)C3=C(C=CC(=C3)NC(=O)C4=CN=C(C=N4)OC(F)F)F)N

DOS

IR

Vibrations