Geometry & MOs

Info

ID:	29104
PubChem CID:	831650
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	289.095023
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	2.47
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

DOS

IR

Vibrations