Geometry & MOs

Info

ID:	47950
PubChem CID:	10536024
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	200.061949
ΔH_f, kcal/mol:	-184.99
Dipole, Da:	2.19
IP(EA), eV:	-9.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-ethyl-6-hydroxy-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](O[C@@]1(C)CC(=O)OC)C=O

DOS

IR

Vibrations