Geometry & MOs

Info

ID:	354
PubChem CID:	2638
Reduced:	S2N3O7C16H17 (1)
Stoich.:	A2B3C7D16E17 (1)
Weight, g/mol:	427.050792
ΔH_f, kcal/mol:	-231.69
Dipole, Da:	3.65
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

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-carboxylic acid

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