Geometry & MOs

Info

ID:	57021
PubChem CID:	22395230
Reduced:	ClS2N5O7C24H24 (1)
Stoich.:	AB2C5D7E24F24 (1)
Weight, g/mol:	170.051384
ΔH_f, kcal/mol:	-141.52
Dipole, Da:	5.39
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2C(=C)CSC3N2C(=O)C3NC(=O)/C=N/OC(C4=CSC=N4)NC(=O)CCl

DOS

IR

Vibrations