Geometry & MOs

Info

ID:	150424
PubChem CID:	53790114
Reduced:	O2C25H36 (1)
Stoich.:	A2B25C36 (1)
Weight, g/mol:	410.060629
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	4.36
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-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

CCCCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C=CC=CCCC

DOS

IR

Vibrations