Geometry & MOs

Info

ID:	218378
PubChem CID:	85089248
Reduced:	N5O5C23H28 (1)
Stoich.:	A5B5C23D28 (1)
Weight, g/mol:	453.102828
ΔH_f, kcal/mol:	-153.27
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.322103
Charge, e:	0

Chem-info

IUPAC name:

3-(diethylcarbamoyloxymethyl)-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

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)C)C=CC3=CC(=CC=C3)NC(=O)CCCCC(=O)OC

DOS

IR

Vibrations