Geometry & MOs

Info

ID:	304954
PubChem CID:	124766355
Reduced:	ClSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	-166.17
Dipole, Da:	3.48
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4R)-3-N-(2,5-diethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)CCSC

DOS

IR

Vibrations