Geometry & MOs

Info

ID:	427729
PubChem CID:	135161732
Reduced:	ClSN2O2C12H23 (1)
Stoich.:	ABC2D2E12F23 (1)
Weight, g/mol:	291.069592
ΔH_f, kcal/mol:	-127.05
Dipole, Da:	6.4
IP(EA), eV:	-8.08(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-4-(2-chloroethyl)-1-[(1S)-1-hydroxy-2-methylpropyl]-3-methyl-2-oxo-2lambda4-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(C)(C(=O)N/C(=C(\C)/N)/CCCl)S)O

DOS

IR

Vibrations