Geometry & MOs

Info

ID:	57025
PubChem CID:	22395234
Reduced:	ClS3N5O9C27H30 (1)
Stoich.:	AB3C5D9E27F30 (1)
Weight, g/mol:	237.004884
ΔH_f, kcal/mol:	-232.93
Dipole, Da:	6.03
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-3-methylsulfanyl-5-thia-1-azabicyclo[4.2.0]octan-8-one

Drug info:

PubChemData

Smile

CC(=O)OCC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)OC)NC(=O)/C=N/OC(C4=CSC=N4)NC(=O)CCl)SC

DOS

IR

Vibrations