Geometry & MOs

Info

ID:	305307
PubChem CID:	124767981
Reduced:	NO5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	275.079373
ΔH_f, kcal/mol:	-151.4
Dipole, Da:	6.52
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)O)O3)O

DOS

IR

Vibrations