Geometry & MOs

Info

ID:	379615
PubChem CID:	134450800
Reduced:	SN3O6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	799.3239
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	12.46
IP(EA), eV:	-9.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC2=CC=CC=C2C1S(=O)(=O)C(=O)OCC3=CC=CC=C3)NC4=NC(=O)ON4

DOS

IR

Vibrations