Geometry & MOs

Info

ID:	150425
PubChem CID:	53790115
Reduced:	N2S2O6C17H18 (1)
Stoich.:	A2B2C6D17E18 (1)
Weight, g/mol:	410.060629
ΔH_f, kcal/mol:	-170.13
Dipole, Da:	10.05
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-[[2-(benzenesulfinyl)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(N2[C@H](C(C2=O)NC(=O)CS(=O)C3=CC=CC=C3)SC1)C(=O)O

DOS

IR

Vibrations