Geometry & MOs

Info

ID:	160007
PubChem CID:	57304374
Reduced:	NO5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	403.976726
ΔH_f, kcal/mol:	-198.58
Dipole, Da:	0.53
IP(EA), eV:	-9.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (6S,7R)-7-amino-3-(dimethoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC(=O)O)O)CC(=O)O

DOS

IR

Vibrations