Geometry & MOs

Info

ID:	57909
PubChem CID:	24278446
Reduced:	OSN3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	208.030649
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	1.18
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-methyl-2-pyrrol-2-ylidene-3H-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CN=C(S1)N2CCOCC2)N

DOS

IR

Vibrations