Geometry & MOs

Info

ID:	57023
PubChem CID:	22395232
Reduced:	N2S2O7C23H26 (1)
Stoich.:	A2B2C7D23E26 (1)
Weight, g/mol:	223.052781
ΔH_f, kcal/mol:	-210.54
Dipole, Da:	7.6
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)COC(=O)C2C(=C)CSC3N2C(=O)C3N

DOS

IR

Vibrations