Geometry & MOs

Info

ID:	353
PubChem CID:	2637
Reduced:	S2N3O7C16H16 (1)
Stoich.:	A2B3C7D16E16 (1)
Weight, g/mol:	426.042967
ΔH_f, kcal/mol:	-182.84
Dipole, Da:	8.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776330
Charge, e:	-1

Chem-info

IUPAC name:

3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3

DOS

IR

Vibrations