Geometry & MOs

Info

ID:	148976
PubChem CID:	53788647
Reduced:	NCl2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	4.28
IP(EA), eV:	-9.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CC2=CC=CC=C2[C@H]1CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations