Geometry & MOs

Info

ID:	150018
PubChem CID:	53789703
Reduced:	SN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	596.295848
ΔH_f, kcal/mol:	60.45
Dipole, Da:	8.97
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C(=CC(=CC1=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)NC4=NC(=O)CS4

DOS

IR

Vibrations