Geometry & MOs

Info

ID:	80798
PubChem CID:	49845849
Reduced:	SN4O5H20C25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	490.08711
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	4.38
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C=C(C=C2)SC4=NC5=CC=CC=C5N4)N

DOS

IR

Vibrations