Geometry & MOs

Info

ID:	389817
PubChem CID:	134995376
Reduced:	SO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	215.115758
ΔH_f, kcal/mol:	-115.66
Dipole, Da:	6.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768362
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-acetyloxy-2-methylpropan-2-yl)iminoacetate

Drug info:

PubChemData

Smile

CS(=O)[C@@H]1C[C@H]2C[C@@H]1[C@H](C2)C(=O)[O-]

DOS

IR

Vibrations