Geometry & MOs

Info

ID:	186258
PubChem CID:	77413389
Reduced:	Cl3O7C28H39 (1)
Stoich.:	A3B7C28D39 (1)
Weight, g/mol:	385.087846
ΔH_f, kcal/mol:	-328.55
Dipole, Da:	5.64
IP(EA), eV:	-9.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC(=O)C1CC=CCCC(=O)C(=O)O)COC(=O)C(Cl)(Cl)Cl)C2CCCCO2

DOS

IR

Vibrations