Geometry & MOs

Info

ID:	186274
PubChem CID:	77413405
Reduced:	OCl2N2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	385.076613
ΔH_f, kcal/mol:	26.46
Dipole, Da:	5.24
IP(EA), eV:	-9.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7,8-dioxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C2C=CC(=O)N=N2)Cl

DOS

IR

Vibrations