Geometry & MOs

Info

ID:	27631
PubChem CID:	822704
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	305.072179
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	3.81
IP(EA), eV:	-8.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4S)-3-[(3-methylsulfanylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1/C(=C/C2=CC(=C(C=C2)O)OC)/C(=O)N(C1=S)C

DOS

IR

Vibrations