Geometry & MOs

Info

ID:	403022
PubChem CID:	135058358
Reduced:	NSO3H19C24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	236.066229
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	2.36
IP(EA), eV:	-9.21(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations