Geometry & MOs

Info

ID:	383640
PubChem CID:	134975479
Reduced:	N2S3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	260.010307
ΔH_f, kcal/mol:	47.44
Dipole, Da:	3.15
IP(EA), eV:	-8.49(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(5-nitro-1,3-thiazol-2-yl)propanedioate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SS3=C2N=C(S3)NC4=CC=CC=C4

DOS

IR

Vibrations