Geometry & MOs

Info

ID:	186275
PubChem CID:	77413406
Reduced:	S2N3O5C15H19 (1)
Stoich.:	A2B3C5D15E19 (1)
Weight, g/mol:	387.03812
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	6.23
IP(EA), eV:	-9.46(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7,8-dioxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)SCC2(CN3C(C(=O)C3=O)SC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations