Geometry & MOs

Info

ID:	218045
PubChem CID:	85088785
Reduced:	ClN5O5C18H22 (1)
Stoich.:	AB5C5D18E22 (1)
Weight, g/mol:	423.072964
ΔH_f, kcal/mol:	-146.53
Dipole, Da:	4.76
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-chlorophenyl)sulfanyl-3,3-dimethylbut-1-enylidene]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCOC2=NC(C3=C(N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)Cl

DOS

IR

Vibrations