Geometry & MOs

Info

ID:	185808
PubChem CID:	77350893
Reduced:	OC26H42 (1)
Stoich.:	AB26C42 (1)
Weight, g/mol:	407.140259
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	2.31
IP(EA), eV:	-9.02(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butylphenyl)sulfonylmethylidene]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1O)C2=CC=C(C=C2)C3CCC(CC3)CCC

DOS

IR

Vibrations