Geometry & MOs

Info

ID:	21718
PubChem CID:	589624
Reduced:	S2N3O7H13C16 (1)
Stoich.:	A2B3C7D13E16 (1)
Weight, g/mol:	423.019492
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	3.94
IP(EA), eV:	-10.06(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenoxy)-N-[2-(4-nitrophenoxy)carbonylsulfanylethyl]methanimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OC(=NCCSC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S

DOS

IR

Vibrations