Geometry & MOs

Info

ID:	51709
PubChem CID:	12014433
Reduced:	S2O5N6H18C25 (1)
Stoich.:	A2B5C6D18E25 (1)
Weight, g/mol:	535.203436
ΔH_f, kcal/mol:	22.4
Dipole, Da:	2.64
IP(EA), eV:	-8.71(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC3=NC(=S)NC(=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations