Geometry & MOs

Info

ID:	218210
PubChem CID:	85089031
Reduced:	S2N3O7C17H17 (1)
Stoich.:	A2B3C7D17E17 (1)
Weight, g/mol:	439.087178
ΔH_f, kcal/mol:	-202.52
Dipole, Da:	8.89
IP(EA), eV:	-10.24(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[ethyl(methyl)carbamoyl]oxymethyl]-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

CC1(C(N2C(S1(=O)=O)C(C2=O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)O)C

DOS

IR

Vibrations