Geometry & MOs

Info

ID:	151430
PubChem CID:	53801267
Reduced:	ClNOSC4H4 (1)
Stoich.:	ABCDE4F4 (1)
Weight, g/mol:	412.039893
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	2.13
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-(acetyloxymethyl)-7-hydroxy-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=NSC(=C1O)Cl

DOS

IR

Vibrations