Geometry & MOs

Info

ID:	47973
PubChem CID:	10536092
Reduced:	N2O5C7H10 (1)
Stoich.:	A2B5C7D10 (1)
Weight, g/mol:	202.084124
ΔH_f, kcal/mol:	-213.16
Dipole, Da:	3.86
IP(EA), eV:	-10.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(2R,3R,4R)-2,3,4-trihydroxycyclopentylidene]acetate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@@]12C(=O)NC(=O)N2)CO)O

DOS

IR

Vibrations