Geometry & MOs

Info

ID:	388125
PubChem CID:	134988258
Reduced:	NC3H3S3 (1)
Stoich.:	AB3C3D3 (1)
Weight, g/mol:	215.079373
ΔH_f, kcal/mol:	76.91
Dipole, Da:	4.55
IP(EA), eV:	-9.25(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 1-O-methyl (2S)-2-isocyanatopentanedioate

Drug info:

PubChemData

Smile

CSC(=S)SC#N

DOS

IR

Vibrations