Geometry & MOs

Info

ID:	305306
PubChem CID:	124767979
Reduced:	ClN2S2O5C27H27 (1)
Stoich.:	AB2C2D5E27F27 (1)
Weight, g/mol:	275.079373
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	5.48
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=S)S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations