Geometry & MOs

Info

ID:	177195
PubChem CID:	76145503
Reduced:	ClN4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	427.058186
ΔH_f, kcal/mol:	109.53
Dipole, Da:	6.94
IP(EA), eV:	-9.18(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-phenylsulfanyloxan-4-yl)methylsulfamoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)N3C=CN=N3.Cl

DOS

IR

Vibrations