Geometry & MOs

Info

ID:	246746
PubChem CID:	103064779
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	203.061614
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	3.4
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-3-(thiolan-3-ylamino)propanoic acid

Drug info:

PubChemData

Smile

CCCNC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CCSC2

DOS

IR

Vibrations