Geometry & MOs

Info

ID:	49007
PubChem CID:	11528608
Reduced:	SN2O3C8H10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	0.65
Dipole, Da:	2.89
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-hydroxy-2-methyl-3-thiophen-3-ylbutanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C=C)CCO[N+](=O)[O-]

DOS

IR

Vibrations